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

C19H20F3N3O5 — CID 122247698

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H20F3N3O5/c1-27-14-6-12(7-15(28-2)17(14)29-3)24-18(26)25-9-13(10-25)30-16-5-4-11(8-23-16)19(20,21)22/h4-8,13H,9-10H2,1-3H3,(H,24,26)
InChIKeyRXINIOCXKRLQDB-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.42
Rot. Bonds6

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

3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 122247698) has the molecular formula C19H20F3N3O5 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
PubChem CID122247698
Molecular FormulaC19H20F3N3O5
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H20F3N3O5/c1-27-14-6-12(7-15(28-2)17(14)29-3)24-18(26)25-9-13(10-25)30-16-5-4-11(8-23-16)19(20,21)22/h4-8,13H,9-10H2,1-3H3,(H,24,26)
InChIKeyRXINIOCXKRLQDB-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (CID 122247698) is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(Oc3ccc(C(F)(F)F)cn3)C2)cc(OC)c1OC.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is RXINIOCXKRLQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5/c1-27-14-6-12(7-15(28-2)17(14)29-3)24-18(26)25-9-13(10-25)30-16-5-4-11(8-23-16)19(20,21)22/h4-8,13H,9-10H2,1-3H3,(H,24,26).
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
3-[[5-(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-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122247698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).