Ethyl N-[6-amino-4-(5-diethylaminopentan-2-ylamino)-5-nitro-(pyridin-2-YL)]carbamate

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Basic information

CAS: 19270-36-1
Standard SMILES: CCOC(=O)Nc1cc(NC(C)CCCN(CC)CC)c([N+](=O)[O-])c(N)n1
InChIKey: YZSVEWDPUFTUOG-UHFFFAOYSA-N
Molecular formula: C17H30N6O4
Average molar mass: 382.5 g/mol
Monoisotopic mass: 382.23285346

Names & identifiers

Preferred name: Ethyl N-[6-amino-4-(5-diethylaminopentan-2-ylamino)-5-nitro-(pyridin-2-YL)]carbamate
IUPAC: ethyl N-[6-amino-4-[5-(diethylamino)pentan-2-ylamino]-5-nitro-2-pyridinyl]carbamate

Names & synonyms

19270-36-1ETHYL N-[6-AMINO-4-(5-DIETHYLAMINOPENTAN-2-YLAMINO)-5-NITRO-(PYRIDIN-2-YL)]CARBAMATESCHEMBL13328044DTXSID40329262DS-002334Ethyl (6-amino-4-{[5-(diethylamino)pentan-2-yl]amino}-5-nitropyridin-2-yl)carbamateEthyl n-[6-amino-4-(5-diethylaminopentan-2-ylamino)-5-nitro-pyridin-2-yl]carbamateethyl N-[6-amino-4-[[4-(diethylamino)-1-methyl-butyl]amino]-5-nitro-2-pyridyl]carbamateCarbamic acid, [6-amino-4-[[4-(diethylamino)-1-methylbutyl]amino]-5-nitro-2-pyridinyl]-, ethyl ester

Database identifiers

CAS: 19270-36-1
PubChem CID: 418901
DTXSID: DTXSID40329262

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 138 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 27
Formal charge: 0
Complexity: 457

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Compound notes

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