1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-bromo-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

HCID 59600656
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c(C(N)=O)cc(Br)cc23)CC1
InChIKey
NGPUWKKATPBHRY-UHFFFAOYSA-N
Molecular formula
C19H22BrN3O3
Average molar mass
420.3 g/mol

Names & identifiers

Preferred name
1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-bromo-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate
IUPAC
tert-butyl 4-(5-bromo-7-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

SCHEMBL552701NGPUWKKATPBHRY-UHFFFAOYSA-N1,1-dimethylethyl 4-[7-(aminocarbonyl)-5-bromo-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

Database identifiers

PubChem CID
59600656

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
88.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

6 records
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Compound notes

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