3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one

C16H22N2O3 — CID 82064693

IUPAC3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(CC(=O)N2CCCCCC2)c1=O
InChIInChI=1S/C16H22N2O3/c1-12-7-8-14(13(2)19)16(21)18(12)11-15(20)17-9-5-3-4-6-10-17/h7-8H,3-6,9-11H2,1-2H3
InChIKeyLZOYMWTVHFXJCF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.76
Rot. Bonds3

About 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one

3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one (PubChem CID 82064693) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one
PubChem CID82064693
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(CC(=O)N2CCCCCC2)c1=O
InChIInChI=1S/C16H22N2O3/c1-12-7-8-14(13(2)19)16(21)18(12)11-15(20)17-9-5-3-4-6-10-17/h7-8H,3-6,9-11H2,1-2H3
InChIKeyLZOYMWTVHFXJCF-UHFFFAOYSA-N
XLogP1.76
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[[2-(1-azepanyl)-2-oxoethyl](methyl)amino]methyl}-1-ethyl-2(1H)-pyridinone
CID 53191754
3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)butyramide
CID 45498220
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)pivalamide
CID 45498221
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
3-Acetyl-1-[2-(dimethylamino)ethyl]-6-methylpyridin-2-one
CID 82064800
4-acetyl-N-ethyl-1-methyl-N-(2-methylbut-2-enyl)-2H-pyridine-6-carboxamide
CID 123653952
1-[2-(Dimethylamino)ethyl]-6-methyl-3-propanoylpyridin-2-one
CID 172377475
6-Acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one
CID 174150834
1,8-ditert-butyl-3,7-dihydro-2H-pyrido[2,3-c]azepine-4,9-dione
CID 20773237
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)propionamide
CID 45527213
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)isobutyramide
CID 45527214

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one (CID 82064693) is 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one is CC(=O)c1ccc(C)n(CC(=O)N2CCCCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The InChIKey is LZOYMWTVHFXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-7-8-14(13(2)19)16(21)18(12)11-15(20)17-9-5-3-4-6-10-17/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one?
3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-(azepan-1-yl)-2-oxoethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 82064693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).