5-(Phenylethynyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate

HCID 19694341

Basic information

Standard SMILES
CN1CCCC1c1cncc(C#Cc2ccccc2)c1.O=C(O)/C=C/C(=O)O
InChIKey
OODRTTIFHCWULW-WLHGVMLRSA-N
Molecular formula
C22H22N2O4
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
5-(Phenylethynyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate
IUPAC
(E)-but-2-enedioic acid;3-(1-methylpyrrolidin-2-yl)-5-(2-phenylethynyl)pyridine

Names & synonyms

SCHEMBL6960621OODRTTIFHCWULW-WLHGVMLRSA-N5-(phenylethynyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate5- (phenylethynyl) -3 - (1-methyl-2-pyrrolidinyl)pyridine fumarate

Database identifiers

PubChem CID
19694341

Properties

Computed structural properties

Topological polar surface area
90.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
28

Related reactions

5 records

Linked notes

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