2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one

C23H23NO — CID 14621245

IUPAC2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
SMILESCc1c(C2CCCC2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C23H23NO/c1-17-22(25)16-21(18-10-4-2-5-11-18)24(20-14-6-3-7-15-20)23(17)19-12-8-9-13-19/h2-7,10-11,14-16,19H,8-9,12-13H2,1H3
InChIKeyYXLHAGHSTMOCMJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.47
Rot. Bonds3

About 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one

2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one (PubChem CID 14621245) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
PubChem CID14621245
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
SMILESCc1c(C2CCCC2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C23H23NO/c1-17-22(25)16-21(18-10-4-2-5-11-18)24(20-14-6-3-7-15-20)23(17)19-12-8-9-13-19/h2-7,10-11,14-16,19H,8-9,12-13H2,1H3
InChIKeyYXLHAGHSTMOCMJ-UHFFFAOYSA-N
XLogP5.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303720
2-(2-chlorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303714
2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303765
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303770
1,2,6-triphenylpyridin-4-one
CID 13088641
3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
CID 69298374
3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
CID 14303736
1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303546
1,4,6-triphenylpyridin-2-one
CID 629600
2-cyclohexyl-1-phenylquinolin-4-one
CID 59052660
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one?
The IUPAC name of 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one (CID 14621245) is 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one?
The canonical SMILES for 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one is Cc1c(C2CCCC2)n(-c2ccccc2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one?
The InChIKey is YXLHAGHSTMOCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-17-22(25)16-21(18-10-4-2-5-11-18)24(20-14-6-3-7-15-20)23(17)19-12-8-9-13-19/h2-7,10-11,14-16,19H,8-9,12-13H2,1H3.
What are the key properties of 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one?
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one has a molecular weight of 329.44 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one is sourced from PubChem (CID 14621245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).