A1A3F

(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile

Created:2024-08-23
Last modified:  2025-04-30

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count36
Aromatic Bond Count12
2D diagram of A1A3F

Chemical Component Summary

Name(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile
Systematic Name (OpenEye OEToolkits)3-(6-azanyl-4-methyl-pyridin-2-yl)-5-(methylaminomethyl)benzenecarbonitrile
FormulaC15 H16 N4
Molecular Weight252.314
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1
SMILESCACTVS3.385CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC
Canonical SMILESCACTVS3.385 CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC
InChIInChI1.06 InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19)
InChIKeyInChI1.06 KMIIYZIQKGGZIB-UHFFFAOYSA-N