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N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-bromo-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide (HCID 178446471)|Huagongshe
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Compound
N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-bromo-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
HCID
178446471
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Basic information
Standard SMILES
CC(C)CC(NC(=O)c1ccc(Br)c(OCC2CCCO2)n1)C(N)=O
InChIKey
SYCYMBWSJFYULZ-UHFFFAOYSA-N
Molecular formula
C17H24BrN3O4
Average molar mass
414.3 g/mol
Monoisotopic mass
413.09502
Names & identifiers
IUPAC
N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-bromo-6-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
Database identifiers
PubChem CID
78010139
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
25
Formal charge
0
Complexity
463
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HRID
833691
As product
Test data from https://doi.org/10.1039/C8SC04228D
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