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

C14H12N2O3S — CID 61319605

IUPAC6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
SMILESO=C(CSc1ccccc1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H12N2O3S/c17-13(9-20-11-4-2-1-3-5-11)16-12-7-6-10(8-15-12)14(18)19/h1-8H,9H2,(H,18,19)(H,15,16,17)
InChIKeyLXMZUJMXFDIBCP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.51
Rot. Bonds5

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

6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid (PubChem CID 61319605) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
PubChem CID61319605
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
SMILESO=C(CSc1ccccc1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H12N2O3S/c17-13(9-20-11-4-2-1-3-5-11)16-12-7-6-10(8-15-12)14(18)19/h1-8H,9H2,(H,18,19)(H,15,16,17)
InChIKeyLXMZUJMXFDIBCP-UHFFFAOYSA-N
XLogP2.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyridine-3-carboxylic acid
CID 61318371
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
CID 79026184
6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
CID 61320229
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-phenylsulfanylacetohydrazide
CID 7037418
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
6-[[2-[acetyl(methyl)amino]acetyl]amino]pyridine-3-carboxylic acid
CID 61320227

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid (CID 61319605) is 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid is O=C(CSc1ccccc1)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LXMZUJMXFDIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(9-20-11-4-2-1-3-5-11)16-12-7-6-10(8-15-12)14(18)19/h1-8H,9H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61319605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).