ethyl N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitropyridin-2-yl]carbamate
Basic information
- CAS
82585-74-8- Standard SMILES
CCOC(=O)Nc1cc(NCC(=O)CN(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(N)n1- InChIKey
GLGSUVPRWWODNL-UHFFFAOYSA-N- Molecular formula
- C18H21ClN6O5
- Average molar mass
- 436.8 g/mol
- Monoisotopic mass
- 436.1261955
Names & identifiers
- Preferred name
- ethyl N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitropyridin-2-yl]carbamate
- IUPAC
- ethyl N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitro-2-pyridinyl]carbamate
Names & synonyms
82585-74-8NSC248984ethyl N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitropyridin-2-yl]carbamateSCHEMBL10750651DTXSID50312029NSC-248984DS-011090Ethyl [6-amino-4-({3-[(4-chlorophenyl)(methyl)amino]-2-oxopropyl}amino)-5-nitropyridin-2-yl]carbamateEthyl n-[6-amino-4-[[3-[(4-chlorophenyl)-methyl-amino]-2-oxo-propyl]amino]-5-nitro-pyridin-2-yl]carbamate
Database identifiers
- CAS
82585-74-8- PubChem CID
- 317384
- DTXSID
DTXSID50312029
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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