1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid

C15H15NO3 — CID 1489735

IUPAC1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)c(=O)cc2C)c(C)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-13(10(2)6-9)16-8-12(15(18)19)14(17)7-11(16)3/h4-8H,1-3H3,(H,18,19)
InChIKeyIUNLCUDOBQNPRG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.46
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid

1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (PubChem CID 1489735) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
PubChem CID1489735
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)c(=O)cc2C)c(C)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-13(10(2)6-9)16-8-12(15(18)19)14(17)7-11(16)3/h4-8H,1-3H3,(H,18,19)
InChIKeyIUNLCUDOBQNPRG-UHFFFAOYSA-N
XLogP2.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid (CID 1489735) is 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is Cc1ccc(-n2cc(C(=O)O)c(=O)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is IUNLCUDOBQNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-5-13(10(2)6-9)16-8-12(15(18)19)14(17)7-11(16)3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid?
1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 1489735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).