Molecule ID: 60210132

IUPAC Name: N-[2-[(2R)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Description: The molecule is a pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors. It has a role as a muscarinic antagonist. It is a pyridobenzodiazepine, a member of ureas, a member of piperidines and a tertiary amino compound.

SMILES: CCCN(CCC)C[C@H]1CCCCN1CCN=C(O)N1c2ccccc2C(O)=Nc2cccnc21

SELFIES: [C][C][C][N][Branch1][Ring2][C][C][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][N][=C][Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]

InChI: InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m1/s1

Molecular Properties:
- Polar Surface Area: 80.8 Ų
- LogP: 2.8