6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

C15H16N2O4 — CID 20842916

IUPAC6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(C(=O)Nc2cccc(C)c2)CC(=O)N1
InChIInChI=1S/C15H16N2O4/c1-8-4-3-5-10(6-8)17-14(19)11-7-12(18)16-9(2)13(11)15(20)21/h3-6,11H,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCAQLEZJBQLAKII-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.43
Rot. Bonds3

About 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 20842916) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID20842916
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCC1=C(C(=O)O)C(C(=O)Nc2cccc(C)c2)CC(=O)N1
InChIInChI=1S/C15H16N2O4/c1-8-4-3-5-10(6-8)17-14(19)11-7-12(18)16-9(2)13(11)15(20)21/h3-6,11H,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyCAQLEZJBQLAKII-UHFFFAOYSA-N
XLogP1.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7354467
(5S)-2-benzylsulfanyl-N-(3-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885134
(5S)-N-(3-methylphenyl)-4,7-dioxo-2-(2-phenylethylsulfanyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885050
methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7263389
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(5S)-N-(3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875495
(5S)-N-(3-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742710
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653
4-methyl-2-[(3-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390373
(5R)-2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028098
methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7357293
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 20842916) is 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is CC1=C(C(=O)O)C(C(=O)Nc2cccc(C)c2)CC(=O)N1.
What is the InChIKey of 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is CAQLEZJBQLAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-4-3-5-10(6-8)17-14(19)11-7-12(18)16-9(2)13(11)15(20)21/h3-6,11H,7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 20842916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).