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706

Summary
Name:N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
Formula:C22 H23 N5 O
Formal charge:0
Formula weight:373.451 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
OpenEye OEToolkits1.5.0N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2cccnc2NCc1ccncc1)Nc3ccc4c(c3)NCC4(C)C
SMILES_CANONICALCACTVS3.341CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12
SMILESCACTVS3.341CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
SMILESOpenEye OEToolkits1.5.0CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
InChIInChI1.03InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyInChI1.03RAHBGWKEPAQNFF-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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