Basic information
- CAS
82585-81-7- Standard SMILES
CCOC(=O)Nc1cc(NCC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c(N)n1- InChIKey
MKLWLJVWTWTTHO-UHFFFAOYSA-N- Molecular formula
- C17H19N5O6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.13353334
Names & identifiers
- Preferred name
- ethyl N-[6-amino-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamate
- IUPAC
- ethyl N-[6-amino-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-5-nitro-2-pyridinyl]carbamate
Names & synonyms
82585-81-7NSC330775ethyl N-[6-amino-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamateSCHEMBL13327971DTXSID90318424NSC-330775Ethyl (6-amino-4-{[2-(4-methoxyphenyl)-2-oxoethyl]amino}-5-nitropyridin-2-yl)carbamateethyl N-[6-amino-4-[[2-(4-methoxyphenyl)-2-oxo-ethyl]amino]-5-nitro-2-pyridyl]carbamateCarbamic acid,6-amino-5-nitro-4-[[2-(4'-methoxyphenyl)-2- oxoethyl]amino]pyridin-2-yl-,ethyl ester
Database identifiers
- CAS
82585-81-7- PubChem CID
- 332633
- DTXSID
DTXSID90318424
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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