5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one

C15H15NO3 — CID 82421340

IUPAC5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1
InChIInChI=1S/C15H15NO3/c1-10-8-15(18)14(11(2)17)9-16(10)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyGOBXHRDUWKMHSO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.36
Rot. Bonds3

About 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one

5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one (PubChem CID 82421340) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
PubChem CID82421340
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
SMILESCOc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1
InChIInChI=1S/C15H15NO3/c1-10-8-15(18)14(11(2)17)9-16(10)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyGOBXHRDUWKMHSO-UHFFFAOYSA-N
XLogP2.36
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
1-(4-hydroxyphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14027756
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82419028
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420875
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
5-(hydroxymethyl)-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 82420995
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
1-[1-(4-methoxyphenyl)-2-methyl-4-phenylpyrrol-3-yl]ethanone
CID 45142068
4-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)benzoic acid
CID 130424057

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one (CID 82421340) is 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one is COc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1.
What is the InChIKey of 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one?
The InChIKey is GOBXHRDUWKMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-15(18)14(11(2)17)9-16(10)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3.
What are the key properties of 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one?
5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82421340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).