6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one

C25H40FNO2 — CID 170603490

IUPAC6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one
SMILESCc1cc(CC2CCC(F)CC2)c(=O)[nH]c1C(C)(C)CCC(=O)CCCC(C)C
InChIInChI=1S/C25H40FNO2/c1-17(2)7-6-8-22(28)13-14-25(4,5)23-18(3)15-20(24(29)27-23)16-19-9-11-21(26)12-10-19/h15,17,19,21H,6-14,16H2,1-5H3,(H,27,29)
InChIKeyQXLZNTZEYRTOBN-UHFFFAOYSA-N
MW405.60 g/mol
LogP6.21
Rot. Bonds10

About 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one

6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one (PubChem CID 170603490) has the molecular formula C25H40FNO2 and a molecular weight of 405.60 g/mol. Its IUPAC name is 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one
PubChem CID170603490
Molecular FormulaC25H40FNO2
Molecular Weight405.60 g/mol
Exact Mass405.30
IUPAC Name6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one
SMILESCc1cc(CC2CCC(F)CC2)c(=O)[nH]c1C(C)(C)CCC(=O)CCCC(C)C
InChIInChI=1S/C25H40FNO2/c1-17(2)7-6-8-22(28)13-14-25(4,5)23-18(3)15-20(24(29)27-23)16-19-9-11-21(26)12-10-19/h15,17,19,21H,6-14,16H2,1-5H3,(H,27,29)
InChIKeyQXLZNTZEYRTOBN-UHFFFAOYSA-N
XLogP6.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one (CID 170603490) is 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one is Cc1cc(CC2CCC(F)CC2)c(=O)[nH]c1C(C)(C)CCC(=O)CCCC(C)C.
What is the InChIKey of 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one?
The InChIKey is QXLZNTZEYRTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FNO2/c1-17(2)7-6-8-22(28)13-14-25(4,5)23-18(3)15-20(24(29)27-23)16-19-9-11-21(26)12-10-19/h15,17,19,21H,6-14,16H2,1-5H3,(H,27,29).
What are the key properties of 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one?
6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one has a molecular weight of 405.60 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,9-dimethyl-5-oxodecan-2-yl)-3-[(4-fluorocyclohexyl)methyl]-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 170603490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).