Basic information
- Standard SMILES
COC(=O)c1c(C#N)cc(NC(CC(C)C)C(N)=O)nc1-c1cnn(C)c1- InChIKey
TXKGVQFETORMCY-UHFFFAOYSA-N- Molecular formula
- C18H22N6O3
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-cyano-2-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
- IUPAC
- methyl 6-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-cyano-2-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
Names & synonyms
SCHEMBL1985118
Database identifiers
- PubChem CID
- 67237474
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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