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SJR : Summary

Code

SJR

One-letter code

X

Molecule name

4-methoxy-N-(pyridin-2-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methoxy-N-(pyridin-2-yl)benzamide
OpenEye OEToolkits 1.7.6 4-methoxy-N-pyridin-2-yl-benzamide

Formula

C13 H12 N2 O2

Formal charge

0

Molecular weight

228.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ncccc1)c2ccc(OC)cc2
SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2ccccn2
SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)C(=O)Nc2ccccn2
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)C(=O)Nc2ccccn2
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)C(=O)Nc2ccccn2

IUPAC InChI

InChI=1S/C13H12N2O2/c1-17-11-7-5-10(6-8-11)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)

IUPAC InChI key

YFXWAMDABVLKSA-UHFFFAOYSA-N
SJR

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-01-20

Last modified at

2015-08-21

Status

Released

Obsoleted

Not Assigned