Dihydropyridines
PubChem CID: 407038
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| Compound Synonyms | 1,2-dihydropyridine, Dihydropyridine, Dihydropyridines, 22694-45-7, Pyridine, 1,2-dihydro-, YA306KG67U, dihydroazine, UNII-YA306KG67U, DTXSID80945364, MMWRGWQTAMNAFC-UHFFFAOYSA-N, AKOS006352484, Q15632861 |
|---|---|
| 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 | NCC=CC=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 | 81.9 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dihydropyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7N |
| Scaffold Graph Node Bond Level | C1=CCNC=C1 |
| Inchi Key | MMWRGWQTAMNAFC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1, 2-dihydropyridine |
| Esol Class | Very soluble |
| Functional Groups | C1=CCNC=C1 |
| Compound Name | Dihydropyridines |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2 |
| Smiles | C1C=CC=CN1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331