5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid

C16H15NO4 — CID 91574754

IUPAC5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C16H15NO4/c1-9-5-4-6-12(7-9)17-10(2)13(11(3)18)8-14(15(17)19)16(20)21/h4-8H,1-3H3,(H,20,21)
InChIKeyFNGOVCRWENIXFA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.36
Rot. Bonds3

About 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid

5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 91574754) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID91574754
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C16H15NO4/c1-9-5-4-6-12(7-9)17-10(2)13(11(3)18)8-14(15(17)19)16(20)21/h4-8H,1-3H3,(H,20,21)
InChIKeyFNGOVCRWENIXFA-UHFFFAOYSA-N
XLogP2.36
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid (CID 91574754) is 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid is CC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(C)c2)c1C.
What is the InChIKey of 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is FNGOVCRWENIXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-5-4-6-12(7-9)17-10(2)13(11(3)18)8-14(15(17)19)16(20)21/h4-8H,1-3H3,(H,20,21).
What are the key properties of 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid?
5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-1-(3-methylphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 91574754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).