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

C14H18F3N3O2 — CID 122252087

IUPACN,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18F3N3O2/c1-3-19(4-2)13(21)20-8-10(9-20)22-12-7-5-6-11(18-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKBQINEJKIWCAMA-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.63
Rot. Bonds4

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

N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122252087) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122252087
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18F3N3O2/c1-3-19(4-2)13(21)20-8-10(9-20)22-12-7-5-6-11(18-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKBQINEJKIWCAMA-UHFFFAOYSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
2-thiophen-3-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122252028
N-(4-ethoxyphenyl)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252055
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251883
3-(4-methoxyphenyl)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122243164
3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
CID 122251746
(5-bromo-3-pyridinyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251771
(3-fluoro-4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252030
(4-methyl-1,3-thiazol-5-yl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252031
N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
CID 122252108
(4-phenoxyphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251942

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122252087) is N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is CCN(CC)C(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is KBQINEJKIWCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-3-19(4-2)13(21)20-8-10(9-20)22-12-7-5-6-11(18-12)14(15,16)17/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122252087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).