4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid

C15H14N2O4 — CID 62830080

IUPAC4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(C)n1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-12-6-4-10(15(20)21)7-13(12)18/h3-7,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyNJKPVCPHJCFYAU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.35
Rot. Bonds3

About 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid

4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 62830080) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID62830080
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(C)n1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-12-6-4-10(15(20)21)7-13(12)18/h3-7,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyNJKPVCPHJCFYAU-UHFFFAOYSA-N
XLogP2.35
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid (CID 62830080) is 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)cc2O)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is NJKPVCPHJCFYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-12-6-4-10(15(20)21)7-13(12)18/h3-7,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 62830080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).