ethyl N-[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]pyridin-2-yl]carbamate

HCID 327348

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Basic information

CAS: 83269-04-9
Standard SMILES: CCOC(=O)Nc1cc(NCC(=O)CCc2ccccc2)c([N+](=O)[O-])c(N)n1
InChIKey: JDCMELLTUVTMCD-UHFFFAOYSA-N
Molecular formula: C18H21N5O5
Average molar mass: 387.4 g/mol
Monoisotopic mass: 387.15426879

Names & identifiers

Preferred name: ethyl N-[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]pyridin-2-yl]carbamate
IUPAC: ethyl N-[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]-2-pyridinyl]carbamate

Names & synonyms

83269-04-9NSC302061ethyl N-[6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]pyridin-2-yl]carbamateSCHEMBL13327634DTXSID70316322NSC-302061DS-007438Ethyl {6-amino-5-nitro-4-[(2-oxo-4-phenylbutyl)amino]pyridin-2-yl}carbamateCARBAMIC ACID,[6-AMINO-5-NITRO-4-[(2-OXO-4-PHENYLBUTYL)AMINO]-2-PYRIDINYL]-, ETHYL ESTER(9CI)

Database identifiers

CAS: 83269-04-9
PubChem CID: 327348
DTXSID: DTXSID70316322

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 535

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