Chemical Components in the PDB

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KVO : Summary

Code

KVO

One-letter code

X

Molecule name

2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
OpenEye OEToolkits 2.0.7 2-(3-chlorophenyl)-~{N}-(2,4-dimethylpyridin-3-yl)ethanamide

Formula

C15 H15 Cl N2 O

Formal charge

0

Molecular weight

274.745 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
SMILES CACTVS 3.385 Cc1ccnc(C)c1NC(=O)Cc2cccc(Cl)c2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)C
Canonical SMILES CACTVS 3.385 Cc1ccnc(C)c1NC(=O)Cc2cccc(Cl)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)C

IUPAC InChI

InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19)

IUPAC InChI key

XEOITIZTKXMLOT-UHFFFAOYSA-N
KVO

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-14

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned