2,6-dimethyl-3-phenyl-1H-pyridin-4-one

C13H13NO — CID 14950490

IUPAC2,6-dimethyl-3-phenyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccccc2)c(C)[nH]1
InChIInChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOGQGCZKEXJDIHR-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.66
Rot. Bonds1

About 2,6-dimethyl-3-phenyl-1H-pyridin-4-one

2,6-dimethyl-3-phenyl-1H-pyridin-4-one (PubChem CID 14950490) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-phenyl-1H-pyridin-4-one
PubChem CID14950490
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,6-dimethyl-3-phenyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccccc2)c(C)[nH]1
InChIInChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOGQGCZKEXJDIHR-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dimethyl-3-phenyl-1H-pyridin-4-one 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 2,6-dimethyl-3-phenyl-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-phenyl-1H-pyridin-4-one (CID 14950490) is 2,6-dimethyl-3-phenyl-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-phenyl-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-phenyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccccc2)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-phenyl-1H-pyridin-4-one?
The InChIKey is OGQGCZKEXJDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of 2,6-dimethyl-3-phenyl-1H-pyridin-4-one?
2,6-dimethyl-3-phenyl-1H-pyridin-4-one has a molecular weight of 199.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenyl-1H-pyridin-4-one is sourced from PubChem (CID 14950490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).