Biodiesel, a sustainable and environmentally friendly substitute for diesel, has attracted growing attention in recent years. The reuse of non-edible neem oil as a feedstock for biodiesel production is affordable and naturally safe. This study aimed to understand the understudied benefits of using heterocyclic organic hydrazone derivatives as catalysts for high yield biodiesel production. The catalysts were characterized using techniques such as EIMS, NMR, CHN and FTIR analysis, which revealed the morphological and functional characteristics of the catalyst. The optimum process conditions were found to be catalyst concentration of 50 mg/10 mL, methanol-to-oil molar ratio of 3:1, reaction temperature of 60 °C, and reaction duration of 60 min; these conditions yielded 95% biodiesel. The produced biodiesel was analyzed using FTIR, and different parameters like moisture content, saponification value, density, acid value, iodine value, and FFA value. The use of neem oil and organic based catalysts for biodiesel production is an economical and environmentally sustainable process.