tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate

C12H17FN2O3 — CID 118622440

IUPACtert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1F
InChIInChI=1S/C12H17FN2O3/c1-5-15(11(17)18-12(2,3)4)8-6-7-14-10(16)9(8)13/h6-7H,5H2,1-4H3,(H,14,16)
InChIKeyDZCIKMAJGSUCGZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate

tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate (PubChem CID 118622440) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
PubChem CID118622440
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Nametert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1F
InChIInChI=1S/C12H17FN2O3/c1-5-15(11(17)18-12(2,3)4)8-6-7-14-10(16)9(8)13/h6-7H,5H2,1-4H3,(H,14,16)
InChIKeyDZCIKMAJGSUCGZ-UHFFFAOYSA-N
XLogP2.28
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622100
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054
tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
CID 139972373
tert-butyl N-(2,6-difluoro-3-nitrophenyl)-N-ethylcarbamate
CID 134413306
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
methyl 2-[2-amino-3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluorophenyl]acetate
CID 166132770
tert-butyl N-(1-bromo-6-fluoro-1-methyl-2-oxo-3H-inden-4-yl)-N-ethylcarbamate
CID 166132639
tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
CID 165411532
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
CID 90144131
tert-butyl N-ethyl-N-(3-fluoro-4-nitrophenyl)carbamate
CID 125115881
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-ethyl-N-[6-fluoro-2,4-bis(methylsulfanyl)-9H-pyrimido[4,5-b]indol-8-yl]carbamate
CID 175765197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate (CID 118622440) is tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate is CCN(C(=O)OC(C)(C)C)c1cc[nH]c(=O)c1F.
What is the InChIKey of tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
The InChIKey is DZCIKMAJGSUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-5-15(11(17)18-12(2,3)4)8-6-7-14-10(16)9(8)13/h6-7H,5H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate?
tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate has a molecular weight of 256.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate is sourced from PubChem (CID 118622440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).