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

C16H17NO3 — CID 82420020

IUPAC5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
SMILESCCOc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1
InChIInChI=1S/C16H17NO3/c1-4-20-14-7-5-13(6-8-14)17-10-15(12(3)18)16(19)9-11(17)2/h5-10H,4H2,1-3H3
InChIKeyDUALLKVBCWVVGS-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds4

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

5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one (PubChem CID 82420020) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
PubChem CID82420020
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
SMILESCCOc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1
InChIInChI=1S/C16H17NO3/c1-4-20-14-7-5-13(6-8-14)17-10-15(12(3)18)16(19)9-11(17)2/h5-10H,4H2,1-3H3
InChIKeyDUALLKVBCWVVGS-UHFFFAOYSA-N
XLogP2.75
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-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

Related Compounds

5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 82421340
1-(4-ethoxyphenyl)-5-(ethylaminomethyl)-2-methylpyridin-4-one
CID 82420007
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
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-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042
ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate
CID 28811414
1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256
1-(4-chlorophenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82422137
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
5-acetyl-3-(4-ethoxyphenyl)-1H-pyrimidine-2,4-dione
CID 51056920

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one (CID 82420020) is 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one is CCOc1ccc(-n2cc(C(C)=O)c(=O)cc2C)cc1.
What is the InChIKey of 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one?
The InChIKey is DUALLKVBCWVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-20-14-7-5-13(6-8-14)17-10-15(12(3)18)16(19)9-11(17)2/h5-10H,4H2,1-3H3.
What are the key properties of 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one?
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).