3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one

C17H19NO3 — CID 82517327

IUPAC3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(OC)c(C)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H19NO3/c1-5-18-15(8-7-14(12(3)19)17(18)20)13-6-9-16(21-4)11(2)10-13/h6-10H,5H2,1-4H3
InChIKeyHKLHNDARILFCLG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.05
Rot. Bonds4

About 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one

3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one (PubChem CID 82517327) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
PubChem CID82517327
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(OC)c(C)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H19NO3/c1-5-18-15(8-7-14(12(3)19)17(18)20)13-6-9-16(21-4)11(2)10-13/h6-10H,5H2,1-4H3
InChIKeyHKLHNDARILFCLG-UHFFFAOYSA-N
XLogP3.05
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518556
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130
3-amino-6-(3,4-dimethoxyphenyl)-1-ethylpyridin-2-one
CID 82467154
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
2-[6-(4-methoxy-3-methylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetyl chloride
CID 82517344
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The IUPAC name of 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one (CID 82517327) is 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one is CCn1c(-c2ccc(OC)c(C)c2)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
The InChIKey is HKLHNDARILFCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-5-18-15(8-7-14(12(3)19)17(18)20)13-6-9-16(21-4)11(2)10-13/h6-10H,5H2,1-4H3.
What are the key properties of 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one?
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82517327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).