ethyl N-[6-amino-4-[[2-(4-chlorophenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamate
Basic information
- CAS
82585-78-2- Standard SMILES
CCOC(=O)Nc1cc(NCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c(N)n1- InChIKey
GVAPVINTDIIYBW-UHFFFAOYSA-N- Molecular formula
- C16H16ClN5O5
- Average molar mass
- 393.78 g/mol
- Monoisotopic mass
- 393.0839963
Names & identifiers
- Preferred name
- ethyl N-[6-amino-4-[[2-(4-chlorophenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamate
- IUPAC
- ethyl N-[6-amino-4-[[2-(4-chlorophenyl)-2-oxoethyl]amino]-5-nitro-2-pyridinyl]carbamate
Names & synonyms
82585-78-2NSC332888ethyl N-[6-amino-4-[[2-(4-chlorophenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamateSCHEMBL13327989DTXSID90318601NSC-332888Ethyl (6-amino-4-{[2-(4-chlorophenyl)-2-oxoethyl]amino}-5-nitropyridin-2-yl)carbamateethyl N-[6-amino-4-[[2-(4-chlorophenyl)-2-oxo-ethyl]amino]-5-nitro-2-pyridyl]carbamateCarbamic acid,6-amino-5-nitro-4-[[2-(4'-chlorophenyl)-2- oxoethyl]amino]pyridin-2-yl,ethyl ester
Database identifiers
- CAS
82585-78-2- PubChem CID
- 333079
- DTXSID
DTXSID90318601
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
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Related reactions
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Compound notes
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