Basic information
- CAS
1255309-23-9- Standard SMILES
CC[C@@H](Nc1c(Nc2cc(C(=O)NC)c[nH]c2=O)c(=O)c1=O)c1ccccc1- InChIKey
RCRSTZNFNDUXKQ-CYBMUJFWSA-N- Molecular formula
- C20H20N4O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.14845513
Names & identifiers
- Preferred name
- 5-[[3,4-Dioxo-2-[[(1R)-1-phenylpropyl]amino]-1-cyclobuten-1-yl]amino]-1,6-dihydro-N-methyl-6-oxo-3-pyridinecarboxamide
- IUPAC
- 5-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
Names & synonyms
DTXSID9011057771255309-23-95-[[3,4-Dioxo-2-[[(1R)-1-phenylpropyl]amino]-1-cyclobuten-1-yl]amino]-1,6-dihydro-N-methyl-6-oxo-3-pyridinecarboxamide
Database identifiers
- CAS
1255309-23-9- PubChem CID
- 165367142
- DTXSID
DTXSID901105777
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 803
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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