3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C17H13F3N4O2 — CID 122249306

IUPAC3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESN#Cc1cccnc1OC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)13-5-1-2-6-14(13)23-16(25)24-9-12(10-24)26-15-11(8-21)4-3-7-22-15/h1-7,12H,9-10H2,(H,23,25)
InChIKeyQACDUAYSZLUVQU-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.27
Rot. Bonds3

About 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 122249306) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID122249306
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESN#Cc1cccnc1OC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)13-5-1-2-6-14(13)23-16(25)24-9-12(10-24)26-15-11(8-21)4-3-7-22-15/h1-7,12H,9-10H2,(H,23,25)
InChIKeyQACDUAYSZLUVQU-UHFFFAOYSA-N
XLogP3.27
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 122249306) is 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide is N#Cc1cccnc1OC1CN(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is QACDUAYSZLUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)13-5-1-2-6-14(13)23-16(25)24-9-12(10-24)26-15-11(8-21)4-3-7-22-15/h1-7,12H,9-10H2,(H,23,25).
What are the key properties of 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-2-pyridinyl)oxy]-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 122249306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).