Summary

IMPPAT Phytochemical identifier: IMPHY007385

Phytochemical name: Nicotinamide

Synonymous chemical names:
niacinamide, nicotinamide, vitamin b

External chemical identifiers:
CID:936, ChEMBL:CHEMBL1140, ChEBI:17154, ZINC:ZINC000000005878, FDASRS:25X51I8RD4, SureChEMBL:SCHEMBL2926, MolPort-001-783-876

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Chemical structure information

SMILES:
NC(=O)c1cccnc1

InChI:
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

InChIKey:
DFPAKSUCGFBDDF-UHFFFAOYSA-N

DeepSMILES:
NC=O)ccccnc6

Functional groups:
cC(N)=O, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

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: Pyridinecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.299

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Chemical structure download