ISDA: 9ID7

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1I13

IUPAC Name: 4-methoxypyridine-2-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccncc1

InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C7 H8 N2 O2

Molecular weight: 152.151

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4-methoxypyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C7H8N2O2/c1-11-5-2-3-9-6(4-5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKey	InChI	1.06	DYHMIVKBJSIOCH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccnc(c1)C(N)=O
SMILES	CACTVS	3.385	COc1ccnc(c1)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccnc(c1)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	COc1ccnc(c1)C(=O)N

Chemical Database Mapping

Database	Reference ID
PubChem	5214209
ZINC	ZINC000004352698
SureChEMBL	SCHEMBL2624147