2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid

C14H12N2O4S — CID 43171833

IUPAC2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H12N2O4S/c1-21-13-10(3-2-6-15-13)12(18)16-8-4-5-9(14(19)20)11(17)7-8/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyOWOYVQUAQZZXOU-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.46
Rot. Bonds4

About 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid

2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 43171833) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID43171833
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
SMILESCSc1ncccc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H12N2O4S/c1-21-13-10(3-2-6-15-13)12(18)16-8-4-5-9(14(19)20)11(17)7-8/h2-7,17H,1H3,(H,16,18)(H,19,20)
InChIKeyOWOYVQUAQZZXOU-UHFFFAOYSA-N
XLogP2.46
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
N-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382799
N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 155382960
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
CID 10409496

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid (CID 43171833) is 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid is CSc1ncccc1C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is OWOYVQUAQZZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-21-13-10(3-2-6-15-13)12(18)16-8-4-5-9(14(19)20)11(17)7-8/h2-7,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 304.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43171833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).