2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile

C15H14N2O — CID 79884933

IUPAC2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC#N)cc1
InChIInChI=1S/C15H14N2O/c1-11-9-15(18)10-12(2)17(11)14-5-3-13(4-6-14)7-8-16/h3-6,9-10H,7H2,1-2H3
InChIKeyCZPOCLOXYWKIQG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.52
Rot. Bonds2

About 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile

2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile (PubChem CID 79884933) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile
PubChem CID79884933
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC#N)cc1
InChIInChI=1S/C15H14N2O/c1-11-9-15(18)10-12(2)17(11)14-5-3-13(4-6-14)7-8-16/h3-6,9-10H,7H2,1-2H3
InChIKeyCZPOCLOXYWKIQG-UHFFFAOYSA-N
XLogP2.52
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile 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-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile (CID 79884933) is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile is Cc1cc(=O)cc(C)n1-c1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile?
The InChIKey is CZPOCLOXYWKIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-9-15(18)10-12(2)17(11)14-5-3-13(4-6-14)7-8-16/h3-6,9-10H,7H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile?
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetonitrile is sourced from PubChem (CID 79884933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).