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4H7

Summary
Name:6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
Formula:C18 H23 N5 O
Formal charge:0
Formula weight:325.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
OpenEye OEToolkits1.9.26-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N3CCN(CC3)C
InChIInChI1.03InChI=1S/C18H23N5O/c1-22-8-10-23(11-9-22)16-5-3-2-4-14(16)12-20-17-7-6-15(13-21-17)18(19)24/h2-7,13H,8-12H2,1H3,(H2,19,24)(H,20,21)
InChIKeyInChI1.03BWXGFROIENPTFW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(N)=O
SMILESCACTVS3.385CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N
SMILESOpenEye OEToolkits1.9.2CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N

218853

PDB entries from 2024-04-24

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