2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid

C15H14N2O3S — CID 63652866

IUPAC2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-12(9)14(18)17-13-11(15(19)20)4-3-7-16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyGKPMJAZKBNTHJD-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.06
Rot. Bonds4

About 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid

2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 63652866) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID63652866
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2ncccc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-12(9)14(18)17-13-11(15(19)20)4-3-7-16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyGKPMJAZKBNTHJD-UHFFFAOYSA-N
XLogP3.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
5-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616313
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051
5-fluoro-N-[3-(4-fluorobenzoyl)-2-pyridinyl]-2-methylbenzamide
CID 146090821
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid (CID 63652866) is 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid is CSc1ccc(C)c(C(=O)Nc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GKPMJAZKBNTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-12(9)14(18)17-13-11(15(19)20)4-3-7-16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid?
2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).