6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid

C15H14N2O3S — CID 61318371

IUPAC6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1SCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O3S/c1-10-4-2-3-5-12(10)21-9-14(18)17-13-7-6-11(8-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyJNZNBOKWXDRLPQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.82
Rot. Bonds5

About 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid

6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid (PubChem CID 61318371) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
PubChem CID61318371
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccccc1SCC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H14N2O3S/c1-10-4-2-3-5-12(10)21-9-14(18)17-13-7-6-11(8-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyJNZNBOKWXDRLPQ-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 61319605
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
5-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 63172490
2-methyl-2-[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696215
6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
CID 61320229
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 55899537
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 107645121

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid (CID 61318371) is 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid is Cc1ccccc1SCC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is JNZNBOKWXDRLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-4-2-3-5-12(10)21-9-14(18)17-13-7-6-11(8-16-13)15(19)20/h2-8H,9H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid?
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61318371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).