4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide

C21H17F4N3O3 — CID 122539597

IUPAC4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide
SMILESCC(COc1ccnc(C(F)(F)F)c1)Oc1cnc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H17F4N3O3/c1-12(11-30-15-6-7-27-19(8-15)21(23,24)25)31-18-10-28-17(20(26)29)9-16(18)13-2-4-14(22)5-3-13/h2-10,12H,11H2,1H3,(H2,26,29)
InChIKeyNUUAUXMDNCREMZ-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.25
Rot. Bonds7

About 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide (PubChem CID 122539597) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide
PubChem CID122539597
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide
SMILESCC(COc1ccnc(C(F)(F)F)c1)Oc1cnc(C(N)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H17F4N3O3/c1-12(11-30-15-6-7-27-19(8-15)21(23,24)25)31-18-10-28-17(20(26)29)9-16(18)13-2-4-14(22)5-3-13/h2-10,12H,11H2,1H3,(H2,26,29)
InChIKeyNUUAUXMDNCREMZ-UHFFFAOYSA-N
XLogP4.25
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.25
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-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide (CID 122539597) is 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide is CC(COc1ccnc(C(F)(F)F)c1)Oc1cnc(C(N)=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide?
The InChIKey is NUUAUXMDNCREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c1-12(11-30-15-6-7-27-19(8-15)21(23,24)25)31-18-10-28-17(20(26)29)9-16(18)13-2-4-14(22)5-3-13/h2-10,12H,11H2,1H3,(H2,26,29).
What are the key properties of 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[1-[[2-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yloxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).