Molecule ID: 47528

IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate

Description: The molecule is a pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris. It has a role as a vasodilator agent and a potassium channel opener. It is a pyridinecarboxamide and a nitrate ester. It derives from a nicotinamide.

SMILES: O=[N+]([O-])OCCN=C(O)c1cccnc1

SELFIES: [O][=N+1][Branch1][C][O-1][O][C][C][N][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1]

InChI: InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

Molecular Properties:
- Polar Surface Area: 97.0 Ų
- LogP: 0.8