3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one

C16H17NO3 — CID 82518556

IUPAC3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C16H17NO3/c1-4-17-15(9-8-14(11(2)18)16(17)19)12-6-5-7-13(10-12)20-3/h5-10H,4H2,1-3H3
InChIKeyMTIOZZDHINTOSU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds4

About 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one

3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one (PubChem CID 82518556) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
PubChem CID82518556
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
SMILESCCn1c(-c2cccc(OC)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C16H17NO3/c1-4-17-15(9-8-14(11(2)18)16(17)19)12-6-5-7-13(10-12)20-3/h5-10H,4H2,1-3H3
InChIKeyMTIOZZDHINTOSU-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

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Related Compounds

2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
3-(1-aminoethyl)-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one
CID 82518553
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
1-ethyl-3-(hydroxymethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518280
3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
CID 118668081
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
1-ethyl-3-(methylaminomethyl)-6-(3-propan-2-yloxyphenyl)pyridin-2-one
CID 82518277
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one (CID 82518556) is 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one is CCn1c(-c2cccc(OC)c2)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is MTIOZZDHINTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-17-15(9-8-14(11(2)18)16(17)19)12-6-5-7-13(10-12)20-3/h5-10H,4H2,1-3H3.
What are the key properties of 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one?
3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-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 3-acetyl-1-ethyl-6-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).