Basic information
- Standard SMILES
CCc1nccc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1- InChIKey
CAPXNGOMENAWSL-UHFFFAOYSA-N- Molecular formula
- C22H20N4
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 5-(6-Cyclopropyl-2'-ethyl-[3,4']bipyridinyl-3'-ylethynyl)-pyridin-2-ylamine
- IUPAC
- 5-[2-[4-(6-cyclopropyl-3-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine
Names & synonyms
SCHEMBL695612CHEMBL3701074CAPXNGOMENAWSL-UHFFFAOYSA-NBDBM172208US9090564, 225-(6-Cyclopropyl-2'-ethyl-[3,4']bipyridinyl-3'-ylethynyl)-pyridin-2-ylamine5-(6-Cyclopropyl-2'-ethyl-[3,4]bipyridinyl-3'-ylethynyl)-pyridin-2-ylamine
Database identifiers
- PubChem CID
- 49800511
- ChEMBL
CHEMBL3701074
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
Loading…