CAS 1221726-03-9

3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, ethyl ester, hydrochloride (1:1)

Description:

3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, ethyl ester, hydrochloride (1:1) is a chemical compound characterized by its pyridine and diazepine moieties, which contribute to its biological activity and potential pharmacological properties. The presence of the pyridine ring suggests that it may exhibit basic properties, while the carboxylic acid functional group can participate in hydrogen bonding and influence solubility. The hexahydro-1H-1,4-diazepine structure indicates a saturated nitrogen-containing heterocycle, which may enhance its interaction with biological targets. As an ethyl ester, it is likely to have improved lipophilicity compared to its acid form, potentially affecting its absorption and distribution in biological systems. The hydrochloride salt form indicates that it is a stable, water-soluble compound, making it suitable for various applications, including medicinal chemistry. Overall, this compound may possess interesting pharmacological properties, warranting further investigation for therapeutic uses.

Formula: C₁₃H₁₉N₃O₂·HCl

InChI: InChI=1S/C13H19N3O2.ClH/c1-2-18-13(17)11-4-5-12(15-10-11)16-8-3-6-14-7-9-16;/h4-5,10,14H,2-3,6-9H2,1H3;1H

InChI key: InChIKey=OFVOCTCCTMBMQV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(N=C1)N2CCCNCC2.Cl

Synonyms:

• 3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-, ethyl ester, hydrochloride (1:1)
• Ethyl 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylate Hydrochloride

Ethyl 6-(1,4-diazepan-1-yl)pyridine-3-carboxylate hydrochloride

CAS: 1221726-03-9

Versatile small molecule scaffold

Formula: C₁₃H₂₀ClN₃O₂

Purity: Min. 95%

Molecular weight: 285.77 g/mol

Ref: 3D-WYB72603