4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide

C17H18N2O2 — CID 110676277

IUPAC4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)c2ccccc2C)ccn1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-4-6-15(12)16(20)7-8-17(21)19-14-9-10-18-13(2)11-14/h3-6,9-11H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyZLLSYAPOVQDJTJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.30
Rot. Bonds5

About 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide

4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide (PubChem CID 110676277) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
PubChem CID110676277
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)c2ccccc2C)ccn1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-4-6-15(12)16(20)7-8-17(21)19-14-9-10-18-13(2)11-14/h3-6,9-11H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyZLLSYAPOVQDJTJ-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
CID 110676274
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
N-(2-methyl-4-pyridinyl)-2-(2,4,5-trimethylphenyl)acetamide
CID 110769624
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide (CID 110676277) is 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide is Cc1cc(NC(=O)CCC(=O)c2ccccc2C)ccn1.
What is the InChIKey of 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide?
The InChIKey is ZLLSYAPOVQDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-5-3-4-6-15(12)16(20)7-8-17(21)19-14-9-10-18-13(2)11-14/h3-6,9-11H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide?
4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide has a molecular weight of 282.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(2-methyl-4-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 110676277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).