Chemical Components in the PDB

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CQK : Summary

Code

CQK

One-letter code

X

Molecule name

~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

Formula

C7 H6 N6 O2

Formal charge

0

Molecular weight

206.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)c1cc(ccn1)c2n[nH]nn2
SMILES OpenEye OEToolkits 2.0.6 c1cnc(cc1c2n[nH]nn2)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1cc(ccn1)c2n[nH]nn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cnc(cc1c2n[nH]nn2)C(=O)NO

IUPAC InChI

InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13)

IUPAC InChI key

ICLVJVGNXROVLL-UHFFFAOYSA-N
CQK

wwPDB Information

Atom count

21 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-03

Last modified at

2018-12-07

Status

Released

Obsoleted

Not Assigned