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

C12H17BrN2O3 — CID 118022858

IUPACtert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C12H17BrN2O3/c1-12(2,3)18-11(17)15(5)9-6-8(13)7-14(4)10(9)16/h6-7H,1-5H3
InChIKeyDMFRUGSTAWVFKF-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.52
Rot. Bonds1

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

tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate (PubChem CID 118022858) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
PubChem CID118022858
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Nametert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C12H17BrN2O3/c1-12(2,3)18-11(17)15(5)9-6-8(13)7-14(4)10(9)16/h6-7H,1-5H3
InChIKeyDMFRUGSTAWVFKF-UHFFFAOYSA-N
XLogP2.52
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.52
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 (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 N-(5-bromo-1-methyl-2-oxopyridin-3-yl)-N-ethylcarbamate
CID 118021567
Tert-butyl 5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylcarbamate
CID 118022092
tert-butyl N-methyl-N-(1-methyl-6-oxo-3-pyridinyl)carbamate
CID 122647571
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-methylcarbamate?
The IUPAC name of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate (CID 118022858) is tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate is CN(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-methylcarbamate?
The InChIKey is DMFRUGSTAWVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-12(2,3)18-11(17)15(5)9-6-8(13)7-14(4)10(9)16/h6-7H,1-5H3.
What are the key properties of tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
tert-butyl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate has a molecular weight of 317.18 g/mol, XLogP of 2.52, 1 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-methylcarbamate is sourced from PubChem (CID 118022858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).