4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide

C20H11F7N4O3 — CID 167370708

IUPAC4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)nc3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C20H11F7N4O3/c21-16-11(19(22,23)24)2-3-13(34-10-1-4-14(30-8-10)20(25,26)27)15(16)18(33)31-9-5-6-29-12(7-9)17(28)32/h1-8H,(H2,28,32)(H,29,31,33)
InChIKeyVVXIISJFDXBZSX-UHFFFAOYSA-N
MW488.32 g/mol
LogP4.80
Rot. Bonds5

About 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide

4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370708) has the molecular formula C20H11F7N4O3 and a molecular weight of 488.32 g/mol. Its IUPAC name is 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370708
Molecular FormulaC20H11F7N4O3
Molecular Weight488.32 g/mol
Exact Mass488.07
IUPAC Name4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)nc3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C20H11F7N4O3/c21-16-11(19(22,23)24)2-3-13(34-10-1-4-14(30-8-10)20(25,26)27)15(16)18(33)31-9-5-6-29-12(7-9)17(28)32/h1-8H,(H2,28,32)(H,29,31,33)
InChIKeyVVXIISJFDXBZSX-UHFFFAOYSA-N
XLogP4.80
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.32
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide (CID 167370708) is 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(Oc3ccc(C(F)(F)F)nc3)ccc(C(F)(F)F)c2F)ccn1.
What is the InChIKey of 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is VVXIISJFDXBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7N4O3/c21-16-11(19(22,23)24)2-3-13(34-10-1-4-14(30-8-10)20(25,26)27)15(16)18(33)31-9-5-6-29-12(7-9)17(28)32/h1-8H,(H2,28,32)(H,29,31,33).
What are the key properties of 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide?
4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 488.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-3-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).