5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid

C13H11N3O3S — CID 63153996

IUPAC5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
SMILESO=C(CSc1ccncc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3S/c17-12(8-20-11-1-3-14-4-2-11)16-10-5-9(13(18)19)6-15-7-10/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyBKDCHMNOKZHLJA-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.91
Rot. Bonds5

About 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid

5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid (PubChem CID 63153996) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
PubChem CID63153996
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
SMILESO=C(CSc1ccncc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3S/c17-12(8-20-11-1-3-14-4-2-11)16-10-5-9(13(18)19)6-15-7-10/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyBKDCHMNOKZHLJA-UHFFFAOYSA-N
XLogP1.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 64792989
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 61221777
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
CID 63153997
3-bromo-2-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid
CID 63112831
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-4-ylsulfanylacetamide
CID 25349115
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
5-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylic acid
CID 63615175
3-methyl-5-[(2-pyridin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 43356652
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid (CID 63153996) is 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid is O=C(CSc1ccncc1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BKDCHMNOKZHLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-12(8-20-11-1-3-14-4-2-11)16-10-5-9(13(18)19)6-15-7-10/h1-7H,8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid?
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).