4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide

C21H16F4N4O2 — CID 122539632

IUPAC4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CC(Oc3ccc(C(F)(F)F)nc3)C2)cn1
InChIInChI=1S/C21H16F4N4O2/c22-13-3-1-12(2-4-13)16-7-17(20(26)30)27-9-18(16)29-10-15(11-29)31-14-5-6-19(28-8-14)21(23,24)25/h1-9,15H,10-11H2,(H2,26,30)
InChIKeyCCDQKASFOHFBDE-UHFFFAOYSA-N
MW432.38 g/mol
LogP3.67
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide (PubChem CID 122539632) has the molecular formula C21H16F4N4O2 and a molecular weight of 432.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide
PubChem CID122539632
Molecular FormulaC21H16F4N4O2
Molecular Weight432.38 g/mol
Exact Mass432.12
IUPAC Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(N2CC(Oc3ccc(C(F)(F)F)nc3)C2)cn1
InChIInChI=1S/C21H16F4N4O2/c22-13-3-1-12(2-4-13)16-7-17(20(26)30)27-9-18(16)29-10-15(11-29)31-14-5-6-19(28-8-14)21(23,24)25/h1-9,15H,10-11H2,(H2,26,30)
InChIKeyCCDQKASFOHFBDE-UHFFFAOYSA-N
XLogP3.67
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide (CID 122539632) is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(N2CC(Oc3ccc(C(F)(F)F)nc3)C2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide?
The InChIKey is CCDQKASFOHFBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O2/c22-13-3-1-12(2-4-13)16-7-17(20(26)30)27-9-18(16)29-10-15(11-29)31-14-5-6-19(28-8-14)21(23,24)25/h1-9,15H,10-11H2,(H2,26,30).
What are the key properties of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]azetidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).