Dalfampridine
PubChem CID: 1727
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| Compound Synonyms | 4-aminopyridine, 504-24-5, pyridin-4-amine, Fampridine, 4-Pyridinamine, Dalfampridine, 4-Pyridylamine, p-Aminopyridine, 4-AP, Avitrol, Ampyra, gamma-Aminopyridine, Pyridine, 4-amino-, FAMPYRA, Compound 1861, Pimadin (free base), Amino-4 pyridine, Neurelan, Amaya, Avitrol 200, Phillips 1861, 4 Aminopyridine, Prc 1237, fampridina, Caswell No. 038, EL-970, VMI 10-3, fampridinum, NSC 15041, C5H6N2, HSDB 6037, UNII-BH3B64OKL9, pyridin-4-ylamine, EINECS 207-987-9, BH3B64OKL9, NSC-15041, Fampridine [INN], BIIB041, EPA Pesticide Chemical Code 069201, BRN 0105782, BIIB 041, .gamma.-Aminopyridine, DTXSID0023870, CHEBI:34385, Dalfampridine [USAN], AI3-52547, N07XX07, Fampridine (4-aminopyridine), MLS000069400, CHEMBL284348, DTXCID003870, Dalfampridine (4-aminopyridine), 5-22-09-00106 (Beilstein Handbook Reference), NSC15041, MFCD00006439, Dalfampridine (USAN), NCGC00015009-08, Pymadine, SMR000058211, 286367-79-1, Fampridine-SR, DALFAMPRIDINE (II), DALFAMPRIDINE [II], FAMPRIDINE (MART.), FAMPRIDINE [MART.], DALFAMPRIDINE (USP-RS), DALFAMPRIDINE [USP-RS], ACETYL-2-13C CHLORIDE,2,2-DICHLORO- (9CI), VMI-103, DALFAMPRIDINE (USP MONOGRAPH), DALFAMPRIDINE [USP MONOGRAPH], 4-amino pyridine, 4-amino-pyridine, 4- Aminopyridine, Mi-W-3, 4AP, CAS-504-24-5, Ampyra (TN), VMI 103, SR-01000075299, RCRA waste no. P008, Dalfampridine [USAN:INN], Frampridine, Ampydin, Pymadin, Fampridine-PR, Dalfampridine-ER, 4-pyridyl amine, para-aminopyridine, pyridine-4-amine, 3rxf, Neurelan (TN), pyridine-4-ylamine, Fampyra (TN), pyridin-4-yl-amine, 4-Aminopyridine 10, Philips 1861, 4-AMINOPYRDINE, Spectrum_000155, Tocris-0940, Fampridine (JAN/INN), 4-Aminopyridine, 98%, FAMPRIDINE [JAN], PYRIDINE,4-AMINO, Opera_ID_1768, Spectrum2_001413, Spectrum3_000914, Spectrum4_001013, Spectrum5_001501, 4-Pyridinamine, Fampridine, Lopac-A-0152, DALFAMPRIDINE [MI], FAMPRIDINE [VANDF], UPCMLD-DP125, WLN: T6NJ DZ, 4-Aminopyridine (4-AP), 4-Aminopyridine, >=99%, DALFAMPRIDINE [HSDB], FAMPRIDINE [WHO-DD], 1,4-dihydropyridin-4-imine, Lopac0_000032, BSPBio_001562, DALFAMPRIDINE [VANDF], KBioGR_000282, KBioGR_001505, KBioSS_000282, KBioSS_000635, DivK1c_000572, FAMPRIDINE [EMA EPAR], SPECTRUM1501130, SPBio_001486, 4 AP, BIIB-041, GTPL2416, CL-COB-III-274-1, UPCMLD-DP125:001, BDBM10458, HMS501M14, KBio1_000572, KBio2_000282, KBio2_000635, KBio2_002850, KBio2_003203, KBio2_005418, KBio2_005771, KBio3_000563, KBio3_000564, KBio3_001888, NINDS_000572, Bio1_000353, Bio1_000842, Bio1_001331, Bio2_000282, Bio2_000762, HMS1361O04, HMS1791O04, HMS1921H15, HMS1989O04, HMS2092F05, HMS2234N24, HMS3260G05, HMS3267E21, HMS3370J03, HMS3402O04, HMS3414H15, HMS3678H13, HMS3886I09, KUC111877N, Pharmakon1600-01501130, DALFAMPRIDINE [ORANGE BOOK], HY-B0604, VMI-10-3, Tox21_110065, Tox21_200793, Tox21_500032, CCG-39031, HB1073, NSC757845, RB8003, s5028, STK298717, AKOS000119896, Tox21_110065_1, BS-3729, DB06637, FA00151, LP00032, NSC-757845, SDCCGMLS-0066228.P001, SDCCGSBI-0050021.P004, IDI1_000572, IDI1_034032, p-Aminopyridine [UN2671] [Poison], USEPA/OPP Pesticide Code: 069201, NCGC00015009-01, NCGC00015009-02, NCGC00015009-03, NCGC00015009-04, NCGC00015009-05, NCGC00015009-06, NCGC00015009-07, NCGC00015009-09, NCGC00015009-10, NCGC00015009-11, NCGC00015009-12, NCGC00015009-13, NCGC00015009-14, NCGC00015009-16, NCGC00015009-23, NCGC00015009-24, NCGC00024890-01, NCGC00024890-02, NCGC00024890-03, NCGC00024890-04, NCGC00024890-05, NCGC00024890-06, NCGC00024890-07, NCGC00024890-08, NCGC00024890-09, NCGC00024890-10, NCGC00258347-01, NCGC00260717-01, BP-21343, SBI-0050021.P003, DB-028705, A0414, EU-0100032, NS00002207, EN300-21310, FAMPRIDINE (4-AMINOPYRIDINE) [VANDF], A 0152, D04127, AB00052209_12, [J.Pharmacol.Exp.Ther. 275:864 (1995)], AC-907/25014071, Q372539, 4-Aminopyridine, PESTANAL(R), analytical standard, SR-01000075299-1, SR-01000075299-3, SR-01000075299-5, BRD-K22482860-001-20-6, BRD-K22482860-001-21-4, F2190-0487, Z104495272, Dalfampridine, United States Pharmacopeia (USP) Reference Standard, InChI=1/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7, 207-987-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ncccncc6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Aminopyridines and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P00760, P00747, Q9NY46, P37136, P22001, Q12809, Q8BGY9, Q03164, P02545, Q16637, P16473, P25779, P00352, P10636, P15917, P28482, P10635, Q01782, P04062, Q96KQ7, O15648, P83916, P04150, O89049, P25094, O75496, P11308, O75874, O94782, O95398, P27695, Q09470, n.a., P0DTD1, P19838 |
| Iupac Name | pyridin-4-amine |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT98, NPT483, NPT93, NPT210, NPT94, NPT51, NPT282, NPT110, NPT2592 |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6N2 |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NUKYPUAOHBNCPY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -0.826 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.089 |
| Synonyms | 4-pyridinamine |
| Esol Class | Very soluble |
| Functional Groups | cN, cnc |
| Compound Name | Dalfampridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 94.0531 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 94.0531 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 94.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.0721111142857143 |
| Inchi | InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7) |
| Smiles | C1=CN=CC=C1N |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643935 - 2. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all