tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate

C15H19F3N2O2 — CID 169137281

IUPACtert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H19F3N2O2/c1-13(2,3)22-12(21)20-9-11-5-4-10(8-19-11)14(6-7-14)15(16,17)18/h4-5,8H,6-7,9H2,1-3H3,(H,20,21)
InChIKeyRVLMSQPFAZCVQW-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.70
Rot. Bonds3

About tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate (PubChem CID 169137281) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate
PubChem CID169137281
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Nametert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H19F3N2O2/c1-13(2,3)22-12(21)20-9-11-5-4-10(8-19-11)14(6-7-14)15(16,17)18/h4-5,8H,6-7,9H2,1-3H3,(H,20,21)
InChIKeyRVLMSQPFAZCVQW-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]borinic acid
CID 67514399
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
CID 103768694
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
CID 56636050
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]carbamate
CID 134192426
tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate (CID 169137281) is tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2(C(F)(F)F)CC2)cn1.
What is the InChIKey of tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is RVLMSQPFAZCVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-13(2,3)22-12(21)20-9-11-5-4-10(8-19-11)14(6-7-14)15(16,17)18/h4-5,8H,6-7,9H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 316.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 169137281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).