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

C12H17FN2O3 — CID 134821907

IUPACtert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)18-11(17)15(5)9-6-8(13)7-14(4)10(9)16/h6-7H,1-5H3
InChIKeyOIQPXUZXWCUXBI-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.90
Rot. Bonds1

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

tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate (PubChem CID 134821907) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
PubChem CID134821907
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C12H17FN2O3/c1-12(2,3)18-11(17)15(5)9-6-8(13)7-14(4)10(9)16/h6-7H,1-5H3
InChIKeyOIQPXUZXWCUXBI-UHFFFAOYSA-N
XLogP1.90
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate (CID 134821907) is tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(F)cn(C)c1=O.
What is the InChIKey of tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
The InChIKey is OIQPXUZXWCUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/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-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate?
tert-butyl N-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate has a molecular weight of 256.28 g/mol, XLogP of 1.90, 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-fluoro-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 134821907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).