Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

0DJ : Summary

Code

0DJ

One-letter code

X

Molecule name

3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
OpenEye OEToolkits 1.7.6 3-(1-methyl-2-oxidanylidene-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

Formula

C14 H12 N4 O2

Formal charge

0

Molecular weight

268.271 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)c3cccc(c1cc2c(nc1)NC(=O)N2C)c3
SMILES CACTVS 3.370 CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O
SMILES OpenEye OEToolkits 1.7.6 CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N
Canonical SMILES CACTVS 3.370 CN1C(=O)Nc2ncc(cc12)c3cccc(c3)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N

IUPAC InChI

InChI=1S/C14H12N4O2/c1-18-11-6-10(7-16-13(11)17-14(18)20)8-3-2-4-9(5-8)12(15)19/h2-7H,1H3,(H2,15,19)(H,16,17,20)

IUPAC InChI key

ROERWVFKCQTDPS-UHFFFAOYSA-N
0DJ

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-12-14

Last modified at

2012-01-27

Status

Released

Obsoleted

Not Assigned