N-cyano-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
Basic information
- Standard SMILES
CN(CCCNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC#N)CCC(c1ccccc1)c1ccccn1- InChIKey
YZUGCJLSGKTXIM-UHFFFAOYSA-N- Molecular formula
- C35H47N7O
- Average molar mass
- 581.8 g/mol
- Monoisotopic mass
- 581.38420915
Names & identifiers
- Preferred name
- N-cyano-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
- IUPAC
- 1-cyano-3-[3-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]propyl]-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
Names & synonyms
SCHEMBL9594775SCHEMBL9594778SCHEMBL9594782YZUGCJLSGKTXIM-UHFFFAOYSA-NN-cyano-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
Database identifiers
- PubChem CID
- 54535952
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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