Pancreatic cancer is one of the most fatal malignancies with low survival rate and spreads asymptomatically due to the intensive involvement and expression of PARP1 protein. Nicotinamide is recognised as an efficient ring system in the treatment of pancreatic cancer because of its uses in both cellular and biological processes. In this investigation, 3-methoxyphenyl nicotinamide derivatives were synthesised utilizing a palladium-catalysed Suzuki-Miyaura coupling, and their confirmation has been identified by spectroscopic techniques (HRMS, 1H NMR & 13C NMR). The confirmed compounds (5a-f) were introduced to in-vitro cytotoxic studies using the MTT assay, which demonstrated that 5d and 5f were potent against MIA PaCa-2 cell line with IC50 values of 26±1.21µM and 18.61±0.20µM. The compounds 5d and 5f were also examined against HEK 293 cells, which exhibited a diminished antiproliferative effect with an IC50 values of 82.6µM and 138.07µM, respectively. Consequently, 5d and 5f were found to be safer with reduced antiproliferative effect. The MTT assay results were validated by the molecular docking and ADMET studies, which revealed the binding affinities of compounds 5d and 5f are -9.1 and -9.4 Kcal/mol. Overall, the designed and synthesised conjugates 5d and 5f demonstrated a viable lead for the investigation of new chemotherapeutic drugs against pancreatic cancer in this study.