tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane

C15H23F3N2O3 — CID 156715354

IUPACtert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
SMILESCC.COc1c(C(F)(F)F)ncc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C13H17F3N2O3.C2H6/c1-7-8(18-11(19)21-12(2,3)4)6-17-10(9(7)20-5)13(14,15)16;1-2/h6H,1-5H3,(H,18,19);1-2H3
InChIKeyVEKOXTOFGBEYKO-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.79
Rot. Bonds2

About tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane

tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane (PubChem CID 156715354) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
PubChem CID156715354
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Nametert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
SMILESCC.COc1c(C(F)(F)F)ncc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C13H17F3N2O3.C2H6/c1-7-8(18-11(19)21-12(2,3)4)6-17-10(9(7)20-5)13(14,15)16;1-2/h6H,1-5H3,(H,18,19);1-2H3
InChIKeyVEKOXTOFGBEYKO-UHFFFAOYSA-N
XLogP4.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715413
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155729088
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl N-[2-pyrimidin-5-yl-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 138502896
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 163333240
tert-butyl N-[5-tert-butyl-3-[5-tert-butyl-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methoxyphenyl]carbamate
CID 102391021
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane (CID 156715354) is tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane is CC.COc1c(C(F)(F)F)ncc(NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane?
The InChIKey is VEKOXTOFGBEYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3.C2H6/c1-7-8(18-11(19)21-12(2,3)4)6-17-10(9(7)20-5)13(14,15)16;1-2/h6H,1-5H3,(H,18,19);1-2H3.
What are the key properties of tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane?
tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane has a molecular weight of 336.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane is sourced from PubChem (CID 156715354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).