[(E)-1-aminoethylideneamino] 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
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Basic information
- Standard SMILES
C/C(N)=N\OC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
SDBLKDCGBOJVPW-UHFFFAOYSA-N- Molecular formula
- C24H31N9O4
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.2499005
Names & identifiers
- Preferred name
- [(E)-1-aminoethylideneamino] 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
- IUPAC
- [(E)-1-aminoethylideneamino] 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL12122732
Database identifiers
- PubChem CID
- 59613429
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 860
Related reactions
4 records
Compound notes
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