CAS 132521-77-8

3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester

Description:

3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, commonly referred to as a pyridine derivative, exhibits several notable characteristics. This compound features a pyridine ring, which contributes to its aromatic properties and potential biological activity. The presence of the hexahydro-1H-1,4-diazepin moiety indicates that it has a saturated nitrogen-containing heterocyclic structure, which may enhance its pharmacological properties. As a methyl ester, it possesses an ester functional group that can influence its solubility and reactivity. Generally, compounds of this nature may exhibit moderate to high polarity, affecting their interaction with biological systems. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both the pyridine and diazepin components, which are often associated with various biological activities. Additionally, the compound's stability, solubility, and reactivity can be influenced by environmental factors such as pH and temperature, making it important to consider these conditions in practical applications.

Formula: C₁₂H₁₇N₃O₂

InChI: InChI=1S/C12H17N3O2/c1-17-12(16)10-3-4-11(14-9-10)15-7-2-5-13-6-8-15/h3-4,9,13H,2,5-8H2,1H3

InChI key: InChIKey=FAORFFLXUBQPLI-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC=C(N=C1)N2CCCNCC2

Synonyms:

• 3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester
• 1H-1,4-Diazepine, 3-pyridinecarboxylic acid deriv.