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

C15H14N2O3S — CID 104740428

IUPAC3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-11(9)14(18)17-12-4-3-7-16-13(12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyNMXLCOBZSONGQC-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.06
Rot. Bonds4

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

3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740428) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID104740428
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCSc1ccc(C)c(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-11(9)14(18)17-12-4-3-7-16-13(12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyNMXLCOBZSONGQC-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-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63652866
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740156

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid (CID 104740428) is 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid is CSc1ccc(C)c(C(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is NMXLCOBZSONGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-5-6-10(21-2)8-11(9)14(18)17-12-4-3-7-16-13(12)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid?
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-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 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).