3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

C19H20F3N3O5 — CID 122251067

IUPAC3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc(OC)c1OC
InChIInChI=1S/C19H20F3N3O5/c1-27-14-7-11(8-15(28-2)16(14)29-3)24-18(26)25-9-12(10-25)30-17-13(19(20,21)22)5-4-6-23-17/h4-8,12H,9-10H2,1-3H3,(H,24,26)
InChIKeyOOKSGBLTZIZUAN-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.42
Rot. Bonds6

About 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 122251067) has the molecular formula C19H20F3N3O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
PubChem CID122251067
Molecular FormulaC19H20F3N3O5
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc(OC)c1OC
InChIInChI=1S/C19H20F3N3O5/c1-27-14-7-11(8-15(28-2)16(14)29-3)24-18(26)25-9-12(10-25)30-17-13(19(20,21)22)5-4-6-23-17/h4-8,12H,9-10H2,1-3H3,(H,24,26)
InChIKeyOOKSGBLTZIZUAN-UHFFFAOYSA-N
XLogP3.42
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251065
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251081
(3,4-dimethylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250793
8-methoxy-3-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]chromen-2-one
CID 122250951
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
CID 122250991
3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
3-chloro-2,2-dimethyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250787

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (CID 122251067) is 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(Oc3ncccc3C(F)(F)F)C2)cc(OC)c1OC.
What is the InChIKey of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is OOKSGBLTZIZUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5/c1-27-14-7-11(8-15(28-2)16(14)29-3)24-18(26)25-9-12(10-25)30-17-13(19(20,21)22)5-4-6-23-17/h4-8,12H,9-10H2,1-3H3,(H,24,26).
What are the key properties of 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122251067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).