2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

C16H16N2O3 — CID 63614620

IUPAC2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2ncccc2C(=O)O)c(C)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-13(11(2)9-10)18(3)15(19)14-12(16(20)21)5-4-8-17-14/h4-9H,1-3H3,(H,20,21)
InChIKeyXJPJLLZDUZOUFT-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.67
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid

2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614620) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63614620
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(N(C)C(=O)c2ncccc2C(=O)O)c(C)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-7-13(11(2)9-10)18(3)15(19)14-12(16(20)21)5-4-8-17-14/h4-9H,1-3H3,(H,20,21)
InChIKeyXJPJLLZDUZOUFT-UHFFFAOYSA-N
XLogP2.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
CID 47313258
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381112
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
pyridine-2,3-dicarboxylic acid
CID 1066
2,4-dimethylbenzoic acid;2-methylpyridin-3-ol
CID 67699465
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697007

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid (CID 63614620) is 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is Cc1ccc(N(C)C(=O)c2ncccc2C(=O)O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XJPJLLZDUZOUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-7-13(11(2)9-10)18(3)15(19)14-12(16(20)21)5-4-8-17-14/h4-9H,1-3H3,(H,20,21).
What are the key properties of 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).