Chemical Components in the PDB

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WM1 : Summary

Code

WM1

One-letter code

X

Molecule name

pyridine-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 pyridine-2-carboxamide
OpenEye OEToolkits 1.7.6 pyridine-2-carboxamide

Formula

C6 H6 N2 O

Formal charge

0

Molecular weight

122.125 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)c1ncccc1
SMILES CACTVS 3.385 NC(=O)c1ccccn1
SMILES OpenEye OEToolkits 1.7.6 c1ccnc(c1)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)c1ccccn1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccnc(c1)C(=O)N

IUPAC InChI

InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)

IUPAC InChI key

IBBMAWULFFBRKK-UHFFFAOYSA-N
WM1

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-16

Last modified at

2020-05-26

Status

Released

Obsoleted

Not Assigned