1,4-Dihydropyridine
PubChem CID: 104822
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| Compound Synonyms | 1,4-Dihydropyridine, 3337-17-5, 27790-75-6, 7M8K3P6I89, Pyridine, dihydro-, Pyridine, 1,4-dihydro-, UNII-7M8K3P6I89, 4-dihydropyridine, Pyridine,1,4-dihydro-, DTXSID20274185, AKOS006332198, Q39094 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CC=CNC=C6 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Hydropyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.9 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dihydropyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Hydropyridines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7N |
| Scaffold Graph Node Bond Level | C1=CNC=CC1 |
| Inchi Key | YNGDWRXWKFWCJY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Lemildipine, Dihydropyridine, 1,4-dihydropyridine |
| Esol Class | Very soluble |
| Functional Groups | C1=CNC=CC1 |
| Compound Name | 1,4-Dihydropyridine |
| Kingdom | Organic compounds |
| Exact Mass | 81.0578 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 81.0578 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 81.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2 |
| Smiles | C1C=CNC=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dihydropyridines |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279