UGM

?

Summary

Name:2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
Formula:C13 H10 N4 O
Formal charge:0
Molecular weight:238.245 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
OpenEye OEToolkits2.0.72-(5-cyanopyridin-3-yl)-~{N}-pyridin-3-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1cncc(c1)CC(=O)Nc2cccnc2
InChIInChI1.03InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18)
InChIKeyInChI1.03DQOFNGNCBXHENB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Cc1cncc(c1)C#N)Nc2cccnc2
SMILESCACTVS3.385O=C(Cc1cncc(c1)C#N)Nc2cccnc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N
170172
PDB entries from 2020-10-21