N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

C12H14F3N3O2 — CID 122243170

IUPACN-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14F3N3O2/c1-2-16-11(19)18-6-8(7-18)20-10-5-3-4-9(17-10)12(13,14)15/h3-5,8H,2,6-7H2,1H3,(H,16,19)
InChIKeyGMKOUAATHXJCMP-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.89
Rot. Bonds3

About N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122243170) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122243170
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14F3N3O2/c1-2-16-11(19)18-6-8(7-18)20-10-5-3-4-9(17-10)12(13,14)15/h3-5,8H,2,6-7H2,1H3,(H,16,19)
InChIKeyGMKOUAATHXJCMP-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122243170) is N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is CCNC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is GMKOUAATHXJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-2-16-11(19)18-6-8(7-18)20-10-5-3-4-9(17-10)12(13,14)15/h3-5,8H,2,6-7H2,1H3,(H,16,19).
What are the key properties of N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122243170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).