tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate

C15H24BrN3O3 — CID 146211547

IUPACtert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24BrN3O3/c1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13/h8-10H,6-7,17H2,1-5H3
InChIKeyNXGALEKWMOIFKN-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.45
Rot. Bonds5

About tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate (PubChem CID 146211547) has the molecular formula C15H24BrN3O3 and a molecular weight of 374.28 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate
PubChem CID146211547
Molecular FormulaC15H24BrN3O3
Molecular Weight374.28 g/mol
Exact Mass373.10
IUPAC Nametert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24BrN3O3/c1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13/h8-10H,6-7,17H2,1-5H3
InChIKeyNXGALEKWMOIFKN-UHFFFAOYSA-N
XLogP3.45
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;2-(1,3-dioxoisoindol-2-yl)ethanesulfonyl chloride
CID 167573930
5-bromo-2-chloro-3-nitropyridine;tert-butyl N-[2-[(5-bromo-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-(2-hydroxyethyl)-N-propan-2-ylcarbamate
CID 165024775
5-bromo-3-iodo-1H-pyridin-2-one;tert-butyl N-[2-[(5-bromo-3-iodo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-(2-hydroxyethyl)-N-propan-2-ylcarbamate;methane
CID 167665368
(2S)-3-[(3-amino-5-bromo-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 167472277
N-[5-bromo-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide;tert-butyl N-[2-[[5-bromo-3-(methanesulfonamido)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;henhexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-triacontayne;methane;octahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106-tripentacontayne
CID 167654192
tert-butyl N-[2-[(5-bromo-3-iodo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate;tert-butyl N-[2-[[5-bromo-3-(propan-2-ylsulfonylamino)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylcarbamate;methane;pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontayne;propane-2-sulfonamide
CID 167605831
tert-butyl N-[2-[(5-bromo-2-pyridinyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245980
2-[[3-(2-aminoethylsulfonylamino)-5-bromo-2-pyridinyl]oxy]ethyl-propan-2-ylcarbamic acid
CID 170169903
5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]ethoxy]benzoic acid
CID 175661863
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 73213746
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate (CID 146211547) is tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate is CC(C)N(CCOc1ncc(Br)cc1N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is NXGALEKWMOIFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O3/c1-10(2)19(14(20)22-15(3,4)5)6-7-21-13-12(17)8-11(16)9-18-13/h8-10H,6-7,17H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 374.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 146211547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).