Chemical Components in the PDB

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0KD : Summary

Code

0KD

One-letter code

X

Molecule name

N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
OpenEye OEToolkits 1.7.6 N-pyridin-3-yl-2-thiophen-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide

Formula

C16 H11 N5 O S

Formal charge

0

Molecular weight

321.356 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1cccnc1)c2c3nc(nc3ncc2)c4ccsc4
SMILES CACTVS 3.370 O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4
SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4
Canonical SMILES CACTVS 3.370 O=C(Nc1cccnc1)c2ccnc3[nH]c(nc23)c4cscc4
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4

IUPAC InChI

InChI=1S/C16H11N5OS/c22-16(19-11-2-1-5-17-8-11)12-3-6-18-15-13(12)20-14(21-15)10-4-7-23-9-10/h1-9H,(H,19,22)(H,18,20,21)

IUPAC InChI key

NMYRPXBRICOTPO-UHFFFAOYSA-N
0KD

wwPDB Information

Atom count

34 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-02-01

Last modified at

2012-02-10

Status

Released

Obsoleted

Not Assigned