6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Openeye Name: N-[3-(2-pyridyl)propyl]-6-(quinuclidin-3-ylamino)pyridine-3-carboxamide CAS Name: 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-[3-(2-pyridinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide Traditional Name: N-[3-(2-pyridyl)propyl]-6-(quinuclidin-3-ylamino)nicotinamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=N4

Isomeric SMILES

C1CN2CCC1C(C2)NC3=NC=C(C=C3)C(=O)NCCCC4=CC=CC=N4

InChI

InChI=1S/C21H27N5O/c27-21(23-11-3-5-18-4-1-2-10-22-18)17-6-7-20(24-14-17)25-19-15-26-12-8-16(19)9-13-26/h1-2,4,6-7,10,14,16,19H,3,5,8-9,11-13,15H2,(H,23,27)(H,24,25)