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

C20H15F4N3O3 — CID 122539792

IUPAC4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C20H15F4N3O3/c21-13-3-1-12(2-4-13)15-9-16(19(25)28)26-11-17(15)30-8-7-29-14-5-6-18(27-10-14)20(22,23)24/h1-6,9-11H,7-8H2,(H2,25,28)
InChIKeyVUVVLBDRMATVPP-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.86
Rot. Bonds7

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

4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide (PubChem CID 122539792) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide
PubChem CID122539792
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C20H15F4N3O3/c21-13-3-1-12(2-4-13)15-9-16(19(25)28)26-11-17(15)30-8-7-29-14-5-6-18(27-10-14)20(22,23)24/h1-6,9-11H,7-8H2,(H2,25,28)
InChIKeyVUVVLBDRMATVPP-UHFFFAOYSA-N
XLogP3.86
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.86
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-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide (CID 122539792) is 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCOc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide?
The InChIKey is VUVVLBDRMATVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c21-13-3-1-12(2-4-13)15-9-16(19(25)28)26-11-17(15)30-8-7-29-14-5-6-18(27-10-14)20(22,23)24/h1-6,9-11H,7-8H2,(H2,25,28).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 3.86, 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-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).