tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C17H24BrN3O2 — CID 123928059

IUPACtert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1C(c1cnc(N)c(Br)c1)C2
InChIInChI=1S/C17H24BrN3O2/c1-17(2,3)23-16(22)21-11-5-4-6-14(21)12(8-11)10-7-13(18)15(19)20-9-10/h7,9,11-12,14H,4-6,8H2,1-3H3,(H2,19,20)
InChIKeyPAABNWYOCLEDRR-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.07
Rot. Bonds1

About tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 123928059) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID123928059
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Nametert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1C(c1cnc(N)c(Br)c1)C2
InChIInChI=1S/C17H24BrN3O2/c1-17(2,3)23-16(22)21-11-5-4-6-14(21)12(8-11)10-7-13(18)15(19)20-9-10/h7,9,11-12,14H,4-6,8H2,1-3H3,(H2,19,20)
InChIKeyPAABNWYOCLEDRR-UHFFFAOYSA-N
XLogP4.07
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

t-Butyl 5'-bromo-2'-oxo-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxylate
CID 68333607
Tert-butyl 2-(6-amino-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 18619778
tert-butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CID 57856243
tert-Butyl 2-(6-aminopyridin-3-yl)piperidine-1-carboxylate
CID 102539672
(2R)-4-(5-Bromo-3-trifluoromethyl-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
CID 11575439
Tert-butyl 4-[2-(5-bromo-3-pyridinyl)ethyl]-4-fluoropiperidine-1-carboxylate
CID 58472186
Tert-butyl 3-[4-[(5-bromo-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]phenyl]pyrrolidine-1-carboxylate
CID 68327783
Tert-butyl 4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 73016609
Tert-butyl 6-(5-bromo-6-fluoro-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123953382
tert-butyl N-[5-(6-bromo-4-fluoro-3-pyridinyl)-2-pyridinyl]-N-methylcarbamate
CID 146253065
tert-butyl N-[(3R)-1-[3-bromo-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]carbamate
CID 153627224
tert-butyl (2S)-2-[5-[6-amino-5-(2-fluoro-4-pyridinyl)-3-pyridinyl]-2-bromophenyl]pyrrolidine-1-carboxylate
CID 155425794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 123928059) is tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1C(c1cnc(N)c(Br)c1)C2.
What is the InChIKey of tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is PAABNWYOCLEDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-17(2,3)23-16(22)21-11-5-4-6-14(21)12(8-11)10-7-13(18)15(19)20-9-10/h7,9,11-12,14H,4-6,8H2,1-3H3,(H2,19,20).
What are the key properties of tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 382.30 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(6-amino-5-bromo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 123928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).