CAS 850021-39-5

3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate

Description:

3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with various functional groups. The presence of an amino group indicates potential basicity and reactivity, while the carboxymethylthio group suggests the compound may exhibit thiol-related properties, such as nucleophilicity. The cyano group contributes to the compound's polarity and can influence its reactivity in nucleophilic addition reactions. The ethyl group enhances the lipophilicity of the molecule, potentially affecting its solubility in organic solvents. This compound may be of interest in medicinal chemistry due to its diverse functional groups, which could facilitate interactions with biological targets. Additionally, its unique structure may confer specific pharmacological properties, making it a candidate for further research in drug development or as a biochemical probe. Overall, the characteristics of this compound suggest a versatile molecule with potential applications in various fields, including pharmaceuticals and biochemistry.

Formula: C₁₁H₁₁N₃O₄S

InChI: InChI=1S/C11H11N3O4S/c1-2-18-11(17)7-3-6(4-12)10(14-9(7)13)19-5-8(15)16/h3H,2,5H2,1H3,(H2,13,14)(H,15,16)

InChI key: InChIKey=MDMCTGJEADKMHO-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=C(C#N)C(SCC(O)=O)=NC1N

Synonyms:

• 3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate
• 3-Pyridinecarboxylic acid, 2-amino-6-[(carboxymethyl)thio]-5-cyano-, 3-ethyl ester