Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

292 : Summary

Code

292

One-letter code

X

Molecule name

N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE

Synonyms

PNU-292137 INHIBITOR

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylacetamide
OpenEye OEToolkits 1.5.0 N-(5-cyclopropyl-2H-pyrazol-3-yl)-2-naphthalen-2-yl-ethanamide

Formula

C18 H17 N3 O

Formal charge

0

Molecular weight

291.347 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4
SMILES CACTVS 3.341 O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4
Canonical SMILES CACTVS 3.341 O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4

IUPAC InChI

InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)

IUPAC InChI key

RIGZCVNCFXYBEG-UHFFFAOYSA-N
292

wwPDB Information

Atom count

39 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-05-07

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned