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

C21H17F4N3O3 — CID 122539667

IUPAC4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29)
InChIKeyYWSKZSRIBCCKHX-UHFFFAOYSA-N
MW435.38 g/mol
LogP4.25
Rot. Bonds8

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

4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide (PubChem CID 122539667) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
PubChem CID122539667
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29)
InChIKeyYWSKZSRIBCCKHX-UHFFFAOYSA-N
XLogP4.25
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide (CID 122539667) is 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCCOc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
The InChIKey is YWSKZSRIBCCKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c22-14-4-2-13(3-5-14)16-10-17(20(26)29)27-12-18(16)31-9-1-8-30-15-6-7-19(28-11-15)21(23,24)25/h2-7,10-12H,1,8-9H2,(H2,26,29).
What are the key properties of 4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propoxy]pyridine-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 4.25, 8 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]propoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).