Chemical Components in the PDB

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2WG : Summary

Code

2WG

One-letter code

X

Molecule name

2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
OpenEye OEToolkits 1.7.6 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-pyrimidine-5-carboxamide

Formula

C15 H15 N5 O3

Formal charge

0

Molecular weight

313.311 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1nccc(c1)c2nc(OC)c(cn2)C(=O)N)C3CC3
SMILES CACTVS 3.385 COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
SMILES OpenEye OEToolkits 1.7.6 COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N
Canonical SMILES CACTVS 3.385 COc1nc(ncc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N

IUPAC InChI

InChI=1S/C15H15N5O3/c1-23-15-10(12(16)21)7-18-13(20-15)9-4-5-17-11(6-9)19-14(22)8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,21)(H,17,19,22)

IUPAC InChI key

FGIRBKPXCMZGGV-UHFFFAOYSA-N
2WG

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-03-11

Last modified at

2015-04-03

Status

Released

Obsoleted

Not Assigned