2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid

C15H14N2O4 — CID 62829376

IUPAC2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)c(C)n1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-13-6-4-10(18)7-12(13)15(20)21/h3-7,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyKXMDEIAHUAUGTJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.35
Rot. Bonds3

About 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 62829376) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID62829376
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)c(C)n1
InChIInChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-13-6-4-10(18)7-12(13)15(20)21/h3-7,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyKXMDEIAHUAUGTJ-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': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
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
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid (CID 62829376) is 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)c(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is KXMDEIAHUAUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-3-5-11(9(2)16-8)14(19)17-13-6-4-10(18)7-12(13)15(20)21/h3-7,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-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 2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 62829376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).