2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile

C12H16N2O — CID 79885855

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H16N2O/c1-5-12(4,8-13)14-9(2)6-11(15)7-10(14)3/h6-7H,5H2,1-4H3
InChIKeyQIEWJVJNZIEVMK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.11
Rot. Bonds2

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile (PubChem CID 79885855) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile
PubChem CID79885855
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile
SMILESCCC(C)(C#N)n1c(C)cc(=O)cc1C
InChIInChI=1S/C12H16N2O/c1-5-12(4,8-13)14-9(2)6-11(15)7-10(14)3/h6-7H,5H2,1-4H3
InChIKeyQIEWJVJNZIEVMK-UHFFFAOYSA-N
XLogP2.11
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile (CID 79885855) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile is CCC(C)(C#N)n1c(C)cc(=O)cc1C.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile?
The InChIKey is QIEWJVJNZIEVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-5-12(4,8-13)14-9(2)6-11(15)7-10(14)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile has a molecular weight of 204.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-methylbutanenitrile is sourced from PubChem (CID 79885855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).