tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate

C17H25BrN2O5 — CID 159975418

IUPACtert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C17H25BrN2O5/c1-8-17(5,6)25-15(23)20(14(22)24-16(2,3)4)12-9-11(18)10-19(7)13(12)21/h9-10H,8H2,1-7H3
InChIKeyOFBZDVCOQVSDAY-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate

tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate (PubChem CID 159975418) has the molecular formula C17H25BrN2O5 and a molecular weight of 417.30 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
PubChem CID159975418
Molecular FormulaC17H25BrN2O5
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C17H25BrN2O5/c1-8-17(5,6)25-15(23)20(14(22)24-16(2,3)4)12-9-11(18)10-19(7)13(12)21/h9-10H,8H2,1-7H3
InChIKeyOFBZDVCOQVSDAY-UHFFFAOYSA-N
XLogP4.21
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate with MolForge

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Related Compounds

tert-butyl N-(methylcarbamoyl)-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 170788822
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tert-butyl N-[(6-bromo-2-methyl-1-oxoisoquinolin-4-yl)methyl]-N-methylcarbamate
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1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(3-hydroxypropyl)urea
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2-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N,N-dimethylacetamide
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1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxybutan-2-yl)-1-sulfanylurea
CID 87283289
tert-butyl N-(3-ethyl-5-fluoro-2,4-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
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2-methylbutan-2-yl N-methyl-N-(2-methylbutan-2-yloxycarbonyl)carbamate
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tert-butyl 3-[3-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)methyl]-2H-pyrrol-5-yl]azetidine-1-carboxylate
CID 58043803
5-bromo-1-methyl-2-oxopyridine-3-carboxamide
CID 126648854
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
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tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate (CID 159975418) is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate is CCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O.
What is the InChIKey of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The InChIKey is OFBZDVCOQVSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O5/c1-8-17(5,6)25-15(23)20(14(22)24-16(2,3)4)12-9-11(18)10-19(7)13(12)21/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate has a molecular weight of 417.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate is sourced from PubChem (CID 159975418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).