3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one

C12H18N2O2 — CID 82144130

IUPAC3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
SMILESCCC(N)Cn1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C12H18N2O2/c1-4-10(13)7-14-8(2)5-6-11(9(3)15)12(14)16/h5-6,10H,4,7,13H2,1-3H3
InChIKeyYTWPEUONBQKHJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds4

About 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one

3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one (PubChem CID 82144130) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
PubChem CID82144130
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
SMILESCCC(N)Cn1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C12H18N2O2/c1-4-10(13)7-14-8(2)5-6-11(9(3)15)12(14)16/h5-6,10H,4,7,13H2,1-3H3
InChIKeyYTWPEUONBQKHJM-UHFFFAOYSA-N
XLogP1.10
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate
CID 82064725
1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
CID 93213290
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
3-acetyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpyridin-2-one
CID 93213282
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
4-[(3-acetyl-6-methyl-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82064795
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
CID 97058136
1-(3-hydroxy-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073396
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151725

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one (CID 82144130) is 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one is CCC(N)Cn1c(C)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one?
The InChIKey is YTWPEUONBQKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10(13)7-14-8(2)5-6-11(9(3)15)12(14)16/h5-6,10H,4,7,13H2,1-3H3.
What are the key properties of 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one?
3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one is sourced from PubChem (CID 82144130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).