3KX

6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one

Created:2014-09-10
Last modified:  2015-01-21

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6
2D diagram of 3KX

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Chemical Component Summary

Name6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)6-(cyclohexylmethyl)-4-oxidanyl-3-phenyl-1H-pyridin-2-one
FormulaC18 H21 N O2
Molecular Weight283.365
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCCCC3
SMILESCACTVS3.385OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O
Canonical SMILESCACTVS3.385 OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O
InChIInChI1.03 InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21)
InChIKeyInChI1.03 UVVRYOIOMHFQGU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 76284487
ChEMBL CHEMBL3742313