tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate

C13H19BrN2O3 — CID 118021567

IUPACtert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C13H19BrN2O3/c1-6-16(12(18)19-13(2,3)4)10-7-9(14)8-15(5)11(10)17/h7-8H,6H2,1-5H3
InChIKeyHIPHKILALLOIGF-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate

tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate (PubChem CID 118021567) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
PubChem CID118021567
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C13H19BrN2O3/c1-6-16(12(18)19-13(2,3)4)10-7-9(14)8-15(5)11(10)17/h7-8H,6H2,1-5H3
InChIKeyHIPHKILALLOIGF-UHFFFAOYSA-N
XLogP2.91
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamate
CID 170616522
Tert-butyl (5-fluoro-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)(methyl)carbamate
CID 134821907
tert-butyl N-(6-carbamoyl-1-propyl-2H-pyridin-3-yl)-N-methylcarbamate
CID 53748714
tert-Butyl 3-(4-bromo-2-oxopyridin-1(2H)-yl)azetidine-1-carboxylate
CID 70651750
tert-Butyl (1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 72183332
tert-Butyl N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 84559180
Tert-butyl 5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylcarbamate
CID 118022092
Tert-butyl 5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl(methyl)carbamate
CID 118022858
tert-butyl N-(1,5-dimethyl-2-oxo-3-pyridinyl)-N-ethylcarbamate
CID 123283316
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134258545
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
CID 135211040
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid
CID 135211047

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate (CID 118021567) is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate is CCN(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-ethylcarbamate?
The InChIKey is HIPHKILALLOIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-6-16(12(18)19-13(2,3)4)10-7-9(14)8-15(5)11(10)17/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate?
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate has a molecular weight of 331.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-ethylcarbamate is sourced from PubChem (CID 118021567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).