Bradanicline
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
Molecular Identity
Bradanicline
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID: 25147644
2D Structure
Properties
C22H23N3O2
Molecular Formula
361.40
Molecular Weight
g/mol
361.1790
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
58.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
534
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4Isomeric SMILES
SMILES: C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4Synonyms(20)
Bradanicline639489-84-2TC-5619BradaniclinaTC 5619ATA-101Bradanicline [USAN:INN]N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamideBRADANICLINE [INN]BRADANICLINE [USAN]UM3821998KBRADANICLINE [WHO-DD]ATA101DTXSID402137782-Benzofurancarboxamide, N-((2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo(2.2.2)oct-3-yl)-
Data from PubChem (NCBI)
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Drug Network
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