3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one

C18H23NO — CID 22934934

IUPAC3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCCCCc1ccc(Cc2c(C)[nH]c(C)cc2=O)cc1
InChIInChI=1S/C18H23NO/c1-4-5-6-15-7-9-16(10-8-15)12-17-14(3)19-13(2)11-18(17)20/h7-11H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyAFIOIRROIVWHKS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.93
Rot. Bonds5

About 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one

3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 22934934) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID22934934
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCCCCc1ccc(Cc2c(C)[nH]c(C)cc2=O)cc1
InChIInChI=1S/C18H23NO/c1-4-5-6-15-7-9-16(10-8-15)12-17-14(3)19-13(2)11-18(17)20/h7-11H,4-6,12H2,1-3H3,(H,19,20)
InChIKeyAFIOIRROIVWHKS-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-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 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one (CID 22934934) is 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one is CCCCc1ccc(Cc2c(C)[nH]c(C)cc2=O)cc1.
What is the InChIKey of 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is AFIOIRROIVWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-5-6-15-7-9-16(10-8-15)12-17-14(3)19-13(2)11-18(17)20/h7-11H,4-6,12H2,1-3H3,(H,19,20).
What are the key properties of 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 269.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylphenyl)methyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 22934934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).