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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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).