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

C15H14N2O3 — CID 43558422

IUPAC6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H14N2O3/c1-9-5-3-6-10(2)13(9)17-14(18)11-7-4-8-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUOICBAPPUIHAJM-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.65
Rot. Bonds3

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

6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558422) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558422
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C15H14N2O3/c1-9-5-3-6-10(2)13(9)17-14(18)11-7-4-8-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUOICBAPPUIHAJM-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-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602474
6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
6-[(2-bromo-6-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602500
N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558422) is 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1cccc(C)c1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UOICBAPPUIHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-5-3-6-10(2)13(9)17-14(18)11-7-4-8-12(16-11)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,6-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-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).