5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

C15H14N2O4 — CID 53224066

IUPAC5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-17(2)14(19)10-5-3-9(4-6-10)11-7-12(15(20)21)13(18)16-8-11/h3-8H,1-2H3,(H,16,18)(H,20,21)
InChIKeyGXEJBXHDPLEPQE-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.44
Rot. Bonds3

About 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid

5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53224066) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53224066
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCN(C)C(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-17(2)14(19)10-5-3-9(4-6-10)11-7-12(15(20)21)13(18)16-8-11/h3-8H,1-2H3,(H,16,18)(H,20,21)
InChIKeyGXEJBXHDPLEPQE-UHFFFAOYSA-N
XLogP1.44
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
N,N-dimethyl-4-(6-oxo-1H-pyridin-3-yl)benzamide
CID 53218069
4-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoic acid
CID 53227808
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223518
4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
CID 53222393
N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 53222392
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 53224066) is 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is CN(C)C(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GXEJBXHDPLEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(2)14(19)10-5-3-9(4-6-10)11-7-12(15(20)21)13(18)16-8-11/h3-8H,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53224066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).