Basic information
- Standard SMILES
O=C(c1ccc(OC2CCCCO2)cc1)c1ccc(C#CCN2CCCC2)nc1- InChIKey
YUFZIMMDSXYEDX-UHFFFAOYSA-N- Molecular formula
- C24H26N2O3
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.1943427
Names & identifiers
- Preferred name
- (6-(3-(pyrrolidin-1-yl)prop-1-ynyl)pyridin-3-yl)(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)methanone
- IUPAC
- [4-(oxan-2-yloxy)phenyl]-[6-(3-pyrrolidin-1-ylprop-1-ynyl)-3-pyridinyl]methanone
Names & synonyms
SCHEMBL15088680YUFZIMMDSXYEDX-UHFFFAOYSA-N(6-(3-(pyrrolidin-1-yl)prop-1-ynyl)pyridin-3-yl)(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)methanone
Database identifiers
- PubChem CID
- 89672880
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 596
Related reactions
4 records
Compound notes
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