3-(1-Methylpyrrolidin-2-yl)pyridine
PubChem CID: 942
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| Compound Synonyms | 22083-74-5, 3-(1-methylpyrrolidin-2-yl)pyridine, (+/-)-Nicotine, (R,S)-Nicotine, Black leaf, DL-Nicotine, Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (RS)-Nicotine, Black Leaf 40, (+-)-Nicotine, Nikotin, rac-Nicotine, 75202-10-7, Nicotin, (+/-)NICOTINE, 3-(1-Methyl-2-pyrrolidinyl)pyridine, 1219805-86-3, CHEMBL440464, DTXSID3048154, CHEBI:138000, NSC5065, 1-Methyl-2-(3-pyridyl)pyrrolidine, 3-[1-Methylpyrrolidin-2-yl]pyridine, (+/-)-3-(1-Methyl-2-pyrrolidinyl)pyridine, destruxol, 1-Methyl-2-(3-pyridyl]pyrrolidine, DL-tetrahydronicotyrine, SMR000471862, Nicotine, (+-)-, [3H]NICOTINE, methyl-2-pyrrolidinyl)pyridine, CHEBI:18723, racemic nicotine, 1-methyl-2-(3-pyridal)-pyrrolidene, Flux Maay, Nicotine, liquid, niagara p.a., Nicotine, racemic, (R,S)-Nicotine, 1-Methyl-2-(3-pyridyl)pyrrolidine, 3-(1-Methyl-2-pyrrolidinyl)pyridine, DL-Nicotine, Nicotine-(+), Ortho N-4, Ortho N-5, BRN 0082111, (+/-)-Nicotine-d3, Nicotine (not validated), (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine, Tetrahydronicotyrine, DL-, SCHEMBL20193, MLS001066400, MLS001332491, GTPL3978, XL All Insecti-cide, Emo-Nib, DTXCID9028128, SCHEMBL11976729, US8609708, 54 Nicotine, GLXC-19133, HMS2267D10, HMS3373A19, JLA68507, UCA98024, UYB80586, WLN: T6NJ C- BT5NTJ A1, BBL028104, BDBM50004108, STL146319, 1-methyl-2-(3-pyridyl) pyrrolidine, AKOS005720800, AB05474, VS-0124, NCGC00161830-01, BP-13421, .beta.-Pyridyl-.alpha.-N-methylpyrrolidine, DB-045786, DB-052483, (+/-)-Nicotine, >=99% (TLC), liquid, NS00125361, 3-(tetrahydro-1-methyl pyrrol-2-yl)Pyridine, EN300-123020, Q12144, (+/-)-Nicotine-d7 (N-methyl-d3 pyridine-d4), AB00919090_06, BRD-A93695607-322-01-7, BRD-A93695607-322-02-5, 623-834-2 |
|---|---|
| Topological Polar Surface Area | 16.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12390, Q2MKA5, Q8BGY9, Q12809, P84022, O75496, A9XFY4, Q7YWJ9, P11509, P08684, n.a., P0DTD1, P36544, P32297, P43681 |
| Iupac Name | 3-(1-methylpyrrolidin-2-yl)pyridine |
| Prediction Hob | 1.0 |
| Class | Pyridines and derivatives |
| Target Id | NPT98, NPT240, NPT109, NPT410 |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyrrolidinylpyridines |
| Molecular Formula | C10H14N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNICXCGAKADSCV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.573 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.735 |
| Synonyms | (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine, (+-)-Nicotine, (R,S)-Nicotine, (RS)-Nicotine, Nicotin, Nikotin, L-Nicotine, Nicotine alkaloid |
| Compound Name | 3-(1-Methylpyrrolidin-2-yl)pyridine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.8869631999999998 |
| Inchi | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| Smiles | CN1CCCC1C2=CN=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyrrolidinylpyridines |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asclepias Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Caltha Palustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Lycopodium Cernuum (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Sophora Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all