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L7A : Summary

Code

L7A

One-letter code

X

Molecule name

N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
OpenEye OEToolkits 1.7.2 N-(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

Formula

C17 H13 N3 O2

Formal charge

0

Molecular weight

291.304 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3
SMILES CACTVS 3.370 O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3
SMILES OpenEye OEToolkits 1.7.2 c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3
Canonical SMILES CACTVS 3.370 O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3

IUPAC InChI

InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)

IUPAC InChI key

KASWEFFYPLWMCM-UHFFFAOYSA-N
L7A

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned