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5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide

HCID 71087534
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=O)C(NC(=O)c1ccc(C2CC2)c(OCC2CCOCC2)n1)C(C)(C)C
InChIKey
BWKBSNKHBAZVMY-UHFFFAOYSA-N
Molecular formula
C22H33N3O4
Average molar mass
403.5 g/mol

Names & identifiers

Preferred name
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide
IUPAC
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6-(oxan-4-ylmethoxy)pyridine-2-carboxamide

Names & synonyms

SCHEMBL14152108

Database identifiers

PubChem CID
71087534

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
89.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
567

Related reactions

1 records
New reaction record
HRID 147321 reaction equation
HRID 147321As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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