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3XM

Summary
Name:3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
Formula:C17 H19 N O4
Formal charge:0
Formula weight:301.337 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
OpenEye OEToolkits1.7.63-hexanoyl-5-(4-hydroxyphenyl)-4-oxidanyl-1H-pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=C(O)C(=CNC1=O)c2ccc(O)cc2)CCCCC
InChIInChI1.03InChI=1S/C17H19NO4/c1-2-3-4-5-14(20)15-16(21)13(10-18-17(15)22)11-6-8-12(19)9-7-11/h6-10,19H,2-5H2,1H3,(H2,18,21,22)
InChIKeyInChI1.03NUFZHWWYFUWCIM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCC(=O)C1=C(O)C(=CNC1=O)c2ccc(O)cc2
SMILESCACTVS3.385CCCCCC(=O)C1=C(O)C(=CNC1=O)c2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O

247947

PDB entries from 2026-01-21

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