Molecule ID: 3408722

IUPAC Name: N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide

Description: The molecule is a naphthalenecarboxamide resulting from the formal condensation of the carboxylic acid group of 4-cyano-1-methoxynaphthalene-2-carboxylic acid with the primary amino group of 1-(1-butylpyrrolidin-2-yl]methanamine. It is a highly potent, competitive, preferential dopamine D3 receptor antagonist, centrally active upon systemic administration. It has a role as a dopaminergic antagonist. It is a tertiary amino compound, a nitrile, a naphthalenecarboxamide, a member of pyrrolidines and an aromatic ether.

SMILES: CCCCN1CCCC1CN=C(O)c1cc(C#N)c2ccccc2c1OC

SELFIES: [C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][N][=C][Branch1][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][N][O][C]

InChI: InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)

Molecular Properties:
- Polar Surface Area: 65.4 Ų
- LogP: 4.0