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4H6

Summary
Name:6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
Formula:C17 H20 N4 O2
Formal charge:0
Formula weight:312.366 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2cc(CNc1ccc(cn1)C(N)=O)c(cc2)N3CCOCC3
InChIInChI1.03InChI=1S/C17H20N4O2/c18-17(22)14-5-6-16(20-12-14)19-11-13-3-1-2-4-15(13)21-7-9-23-10-8-21/h1-6,12H,7-11H2,(H2,18,22)(H,19,20)
InChIKeyInChI1.03OCZBFCMTTLGFND-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(NCc2ccccc2N3CCOCC3)nc1
SMILESCACTVS3.385NC(=O)c1ccc(NCc2ccccc2N3CCOCC3)nc1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3
SMILESOpenEye OEToolkits1.9.2c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3

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PDB entries from 2024-07-10

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