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N-[4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-1H-pyrrole-2-carboxamide

HCID 54366608
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NCC=CCOc1cc(CN2CCCC2)ccn1)c1ccc[nH]1
InChIKey
UQFNQKMTLXUASD-UHFFFAOYSA-N
Molecular formula
C19H24N4O2
Average molar mass
340.4 g/mol
Monoisotopic mass
340.18992602

Names & identifiers

Preferred name
N-[4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-1H-pyrrole-2-carboxamide
IUPAC
N-[4-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-1H-pyrrole-2-carboxamide

Names & synonyms

SCHEMBL8918520

Database identifiers

PubChem CID
54366608

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
70.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
25
Formal charge
0
Complexity
437

Related reactions

1 records
New reaction record
HRID 181538 reaction equation
HRID 181538As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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