tert-butyl ((1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-oxopyridin-1(2H)-yl)cyclohexyl)carbamate

HCID 86705232
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Basic information

Standard SMILES
C[C@H]1C[C@@H](c2ccncc2N)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1n1ccccc1=O
InChIKey
JETXOXCTUFHGEU-JBZZYGANSA-N
Molecular formula
C22H30N4O3
Average molar mass
398.5 g/mol

Names & identifiers

Preferred name
tert-butyl ((1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-oxopyridin-1(2H)-yl)cyclohexyl)carbamate
IUPAC
tert-butyl N-[(1R,2S,3S,5R)-5-(3-amino-4-pyridinyl)-3-methyl-2-(2-oxo-1-pyridinyl)cyclohexyl]carbamate

Names & synonyms

SCHEMBL15589049JETXOXCTUFHGEU-JBZZYGANSA-Ntert-butyl ((1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-oxopyridin-1(2H)-yl)cyclohexyl)carbamate

Database identifiers

PubChem CID
86705232

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
97.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
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Linked notes

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