5-(4-Chloro-phenyl)-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

HCID 9978377
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Basic information

Standard SMILES
Clc1ccc(-c2ccc(C#CCCc3ccc(CN4CCCC4)cc3)nc2)cc1
InChIKey
KRGBLPCQTJHNHO-UHFFFAOYSA-N
Molecular formula
C26H25ClN2
Average molar mass
400.9 g/mol

Names & identifiers

Preferred name
5-(4-Chloro-phenyl)-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine
IUPAC
5-(4-chlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine

Names & synonyms

SCHEMBL4514132KRGBLPCQTJHNHO-UHFFFAOYSA-N5-(4-chloro-phenyl)-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

Database identifiers

PubChem CID
9978377

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
16.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
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Compound notes

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