6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid

C15H14N2O3 — CID 43558433

IUPAC6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H14N2O3/c1-9-6-7-10(2)13(8-9)17-14(18)11-4-3-5-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJPQKSPWCWGNJRE-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

About 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558433) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558433
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C15H14N2O3/c1-9-6-7-10(2)13(8-9)17-14(18)11-4-3-5-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJPQKSPWCWGNJRE-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
N-(2,5-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239438
N-(2,5-dimethylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239617
2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100408
6-N-benzyl-2-N-(2,5-dimethylphenyl)-6-N-ethylpyridine-2,6-dicarboxamide
CID 109098095
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838084

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558433) is 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1ccc(C)c(NC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JPQKSPWCWGNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-6-7-10(2)13(8-9)17-14(18)11-4-3-5-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).