Basic information
- Standard SMILES
N#Cc1c(N)nc(NCc2cccnc2)c(C#N)c1-c1ccc2c(c1)OCCO2- InChIKey
ROQLFUYTWLJCLY-UHFFFAOYSA-N- Molecular formula
- C21H16N6O2
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3-pyridinylmethyl)amino]-3,5-pyridinedicarbonitrile
- IUPAC
- 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(pyridin-3-ylmethylamino)pyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL4027910ROQLFUYTWLJCLY-UHFFFAOYSA-N2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3-pyridinylmethyl)amino]-3,5-pyridinedicarbonitrile
Database identifiers
- PubChem CID
- 58968807
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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