2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone

C20H18N2O — CID 625026

IUPAC2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone
SMILES[H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3/b21-20+
InChIKeyGOQCGAUQFJZFNP-QZQOTICOSA-N
MW302.38 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone

2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone (PubChem CID 625026) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone
PubChem CID625026
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone
SMILES[H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3/b21-20+
InChIKeyGOQCGAUQFJZFNP-QZQOTICOSA-N
XLogP3.83
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone 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-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone (CID 625026) is 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone is [H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
The InChIKey is GOQCGAUQFJZFNP-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3/b21-20+.
What are the key properties of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone?
2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone has a molecular weight of 302.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 625026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).