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SummaryGeometryRelated PDB entries

UME

Summary
Name:N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
Synonyms:~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide
Formula:C19 H21 N5 O
Formal charge:0
Formula weight:335.403 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H21N5O/c1-4-20-19(25)15-10-16(13(2)14-8-6-5-7-9-14)21-17(11-15)18-12-24(3)23-22-18/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1
InChIKeyInChI1.03LOEKXZDIARTPMM-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[C@@H](C)c3ccccc3
SMILESCACTVS3.385CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C
SMILESOpenEye OEToolkits2.0.7CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C

248636

PDB entries from 2026-02-04

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