Summary

IMPPAT Phytochemical identifier: IMPHY000598

Phytochemical name: 1,4-Dihydropyridine

Synonymous chemical names:
1,4-dihydropyridine

External chemical identifiers:
CID:104822, ZINC:ZINC000100123733, FDASRS:7M8K3P6I89, SureChEMBL:SCHEMBL27199

---

Chemical structure information

SMILES:
C1C=CNC=C1

InChI:
InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2

InChIKey:
YNGDWRXWKFWCJY-UHFFFAOYSA-N

DeepSMILES:
CC=CNC=C6

Functional groups:
C1=CNC=CC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CNC=CC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.179

---

Chemical structure download