A new acetohydroxamate coordinated oxidovanadium(V) complex derived from the pyridinohydrazone ligand 2'-(2-hydroxy-4-methoxybenzylidene)nicotinohydrazide (H2L), was prepared and characterized by elemental analysis, IR, UV-vis and H-1 NMR spectra, and single crystal X-ray diffraction. Thermal analysis of the complex was performed. The V atom is in octahedral coordination. The complex has remarkable inhibitory activity on Jack bean urease with IC50 value of 14.9 mu mol.L-1. The interaction mode of the complex with the urease was studied by molecular docking technique.