3KY

6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one

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

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count50
Aromatic Bond Count6
2D diagram of 3KY

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)6-[(4,4-dimethylcyclohexyl)methyl]-4-oxidanyl-3-phenyl-1H-pyridin-2-one
FormulaC20 H25 N O2
Molecular Weight311.418
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCC(C)(C)CC3
SMILESCACTVS3.385CC1(C)CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O
SMILESOpenEye OEToolkits1.7.6CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C
Canonical SMILESCACTVS3.385 CC1(C)CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O
Canonical SMILESOpenEye OEToolkits1.7.6 CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C
InChIInChI1.03 InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
InChIKeyInChI1.03 WKDRRKVUJLNFSR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86580375
ChEMBL CHEMBL3597020