Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015274

Phytochemical name: Dihydropyridine

Synonymous chemical names:
1, 2-dihydropyridine

External chemical identifiers:
CID:CID_407038, FDASRS:YA306KG67U, SureChEMBL:SCHEMBL29969

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Chemical structure information

SMILES:
N1CC=CC=C1

InChI:
InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2

InChIKey:
MMWRGWQTAMNAFC-UHFFFAOYSA-N

DeepSMILES:
NCC=CC=C6

Functional groups:
C1=CCNC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNC=C1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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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: 1.566

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Chemical structure download