Summary

IMPPAT Phytochemical identifier: IMPHY009622

Phytochemical name: N-Methylpyridinium

Synonymous chemical names:
n-methylpyridine

External chemical identifiers:
CID:13597, ChEMBL:CHEMBL302326, ChEBI:15761, ZINC:ZINC000000901469, SureChEMBL:SCHEMBL27002, MolPort-003-801-724

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Chemical structure information

SMILES:
C[n+]1ccccc1

InChI:
InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1

InChIKey:
PQBAWAQIRZIWIV-UHFFFAOYSA-N

DeepSMILES:
C[n+]ccccc6

Functional groups:
c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc[nH+]cc1

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: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.062

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Chemical structure download