6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid

C16H15NO4 — CID 82099938

IUPAC6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-10-8-9-13(16(20)21)15(19)17(10)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21)
InChIKeyZYCXBFSQMGQQHT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.30
Rot. Bonds4

About 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid

6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid (PubChem CID 82099938) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid
PubChem CID82099938
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-10-8-9-13(16(20)21)15(19)17(10)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21)
InChIKeyZYCXBFSQMGQQHT-UHFFFAOYSA-N
XLogP2.30
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid (CID 82099938) is 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1C(C)C(=O)c1ccccc1.
What is the InChIKey of 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is ZYCXBFSQMGQQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-8-9-13(16(20)21)15(19)17(10)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82099938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).