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A1AAS

Summary
Name:N-(5-methylpyridin-3-yl)-2-[(2R)-2-(1-methyl-1H-pyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
Formula:C18 H22 N4 O2
Formal charge:0
Formula weight:326.393 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(5-methylpyridin-3-yl)-2-[(2R)-2-(1-methyl-1H-pyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
OpenEye OEToolkits2.0.7~{N}-(5-methylpyridin-3-yl)-2-[(2~{R})-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C(=O)Nc1cc(C)cnc1)N1CCCCC1c1cccn1C
InChIInChI1.06InChI=1S/C18H22N4O2/c1-13-10-14(12-19-11-13)20-17(23)18(24)22-9-4-3-6-16(22)15-7-5-8-21(15)2/h5,7-8,10-12,16H,3-4,6,9H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyInChI1.06LOEKIZPFXJEWMS-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385Cn1cccc1[C@H]2CCCCN2C(=O)C(=O)Nc3cncc(C)c3
SMILESCACTVS3.385Cn1cccc1[CH]2CCCCN2C(=O)C(=O)Nc3cncc(C)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cnc1)NC(=O)C(=O)N2CCCC[C@@H]2c3cccn3C
SMILESOpenEye OEToolkits2.0.7Cc1cc(cnc1)NC(=O)C(=O)N2CCCCC2c3cccn3C

223166

건을2024-07-31부터공개중

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