7-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzofuran-2-carboxamide

HCID 59636772

Basic information

Standard SMILES
O=C(NCc1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
InChIKey
XIKBBDZPWPLOFN-UHFFFAOYSA-N
Molecular formula
C26H27N5O2
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
7-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzofuran-2-carboxamide
IUPAC
7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

Names & synonyms

SCHEMBL931346CHEMBL3647259XIKBBDZPWPLOFN-UHFFFAOYSA-NBDBM136315US8859534, 17-(4-(2-(Pyridin-2-yl)ethyl)piperazin-1-yl)-N-(pyridin-2-ylmethyl)benzofuran-2-carboxamide

Database identifiers

PubChem CID
59636772
ChEMBL
CHEMBL3647259

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
74.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

Related reactions

3 records

Compound notes

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