Basic information
- Standard SMILES
CNC(=O)c1nc(-c2cccc(C(=O)NCCNc3ccccc3)c2)cnc1N- InChIKey
YSOSWSLPMICOIH-UHFFFAOYSA-N- Molecular formula
- C21H22N6O2
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.18042397
Names & identifiers
- Preferred name
- 3-amino-N-methyl-6-[3-({[2-(phenylamino)ethyl]amino}carbonyl)phenyl]pyrazine-2-carboxamide
- IUPAC
- 3-amino-6-[3-(2-anilinoethylcarbamoyl)phenyl]-N-methylpyrazine-2-carboxamide
Names & synonyms
SCHEMBL3459634YSOSWSLPMICOIH-UHFFFAOYSA-N3-amino-N-methyl-6-[3-({[2-(phenylamino)ethyl]amino}carbonyl)phenyl]pyrazine-2-carboxamide
Database identifiers
- PubChem CID
- 68650211
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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