2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile

C12H16N2O — CID 82525085

IUPAC2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
SMILESCCC(C)n1c(C)ccc(CC#N)c1=O
InChIInChI=1S/C12H16N2O/c1-4-9(2)14-10(3)5-6-11(7-8-13)12(14)15/h5-6,9H,4,7H2,1-3H3
InChIKeyLOYRFSBZLLTRKW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.19
Rot. Bonds3

About 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile

2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile (PubChem CID 82525085) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
PubChem CID82525085
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
SMILESCCC(C)n1c(C)ccc(CC#N)c1=O
InChIInChI=1S/C12H16N2O/c1-4-9(2)14-10(3)5-6-11(7-8-13)12(14)15/h5-6,9H,4,7H2,1-3H3
InChIKeyLOYRFSBZLLTRKW-UHFFFAOYSA-N
XLogP2.19
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525286
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile (CID 82525085) is 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile is CCC(C)n1c(C)ccc(CC#N)c1=O.
What is the InChIKey of 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile?
The InChIKey is LOYRFSBZLLTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-9(2)14-10(3)5-6-11(7-8-13)12(14)15/h5-6,9H,4,7H2,1-3H3.
What are the key properties of 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile?
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile is sourced from PubChem (CID 82525085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).