2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-nitroisonicotinamide

HCID 67115207
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Basic information

Standard SMILES
CC(C)(CO)CNC(=O)c1cc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-]
InChIKey
QWAXAIFIDRZQNB-UHFFFAOYSA-N
Molecular formula
C18H27N5O4
Average molar mass
377.4 g/mol

Names & identifiers

Preferred name
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-nitroisonicotinamide
IUPAC
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide

Names & synonyms

SCHEMBL1668779QWAXAIFIDRZQNB-UHFFFAOYSA-N2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-N-(3-hydroxy-2,2-dimethylpropyl)-5-nitroisonicotinamide

Database identifiers

PubChem CID
67115207

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

Related reactions

1 records
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Compound notes

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