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This research work is a detailed analysis of the failure mechanisms related to the corrosion of N80 carbon steel (N80-CS) in an acidic environment (15 wt% HCl), commonly encountered in oil and gas industry pipelines. The study investigates the corrosion failure, focusing on the interactions with two isonicotinohydrazide derivatives, namely N'-[(Z)-furan-2-ylmethylidene]pyridine-4-carbohydrazide (FMI) and N'-[(Z)-phenylmethylidene]pyridine-4-carbohydrazide (BIH). A combination of experimental and theoretical methods, including weight loss (WL), electrochemical analysis, Field Emission Scanning Electron Microscopy (FE-SEM), Atomic Force Microscopy (AFM), Density Functional Tight Binding (DFTB) semi-empirical calculations, frontier molecular orbital analyses, Fukui function studies, and molecular dynamics simulations, was utilized to identify the corrosion and corrosion inhibition behavior of N80-CS …