Microwave-Assisted Synthesis of Pyridine-Conjugated 2-Methyl-6-(4-nitrophenyl)nicotine Hydrazide Schiff Base: Biological Screening of In Vitro Antimicrobial and In Silico ADMET Investigation

Objective: In the current situation, human beings face challenges in the design and fabrication of new pyridine-based multifunctional hybrids for various applications. Pyridine-based scaffolds sparked tremendous scientific interest in discovering new active components in medicinal areas. Methods: Here we report the synthesis of pyridine-clubbed hydrazide with substituted aldehyde building blocks via a green chemistry approach. In this work, we demonstrate the synthesis of a small library of compounds via enaminone to Schiff base formation by using microwave techniques. Moreover, the final moieties’ drug-likeness profile and toxic effects were assessed by in silico ADMET prediction analysis. Results and Discussion: Synthesized compounds were characterized by MS, FT-IR, ¹H, ¹³C NMR, and other analytical techniques. Furthermore, synthesized compounds (IVa–IVj) were screened against Gram-positive, Gram-negative, and fungal stains for their antimicrobial assay using the broth dilution method and Ciprofloxacin, and nystatin were used as standards. Conclusions: The result shows that at a concentration of 25 µg/mL, the compounds with substitutions in thio, indole, and pyridine (IVc), (IVd), and (IVh) had excellent antibacterial activity and compounds with substituted chloro and methoxy (IVb) and (IVi) exhibited excellent antifungal activity at a concentration of 100 µg/mL.