Chemical Components in the PDB

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0ON : Summary

Code

0ON

One-letter code

X

Molecule name

N-phenylpyridine-3-carboxamide

Synonyms

N-phenylnicotinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-phenylpyridine-3-carboxamide
OpenEye OEToolkits 1.7.6 N-phenylpyridine-3-carboxamide

Formula

C12 H10 N2 O

Formal charge

0

Molecular weight

198.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ccccc1)c2cccnc2
SMILES CACTVS 3.370 O=C(Nc1ccccc1)c2cccnc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)c2cccnc2
Canonical SMILES CACTVS 3.370 O=C(Nc1ccccc1)c2cccnc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC(=O)c2cccnc2

IUPAC InChI

InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)

IUPAC InChI key

NYQXIOZBHWFCBU-UHFFFAOYSA-N
0ON

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-03

Last modified at

2012-11-30

Status

Released

Obsoleted

Not Assigned