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

C21H13F7N4O3 — CID 167370718

IUPAC4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H13F7N4O3/c1-9-13(4-5-15(31-9)21(26,27)28)35-14-3-2-11(20(23,24)25)17(22)16(14)19(34)32-10-6-7-30-12(8-10)18(29)33/h2-8H,1H3,(H2,29,33)(H,30,32,34)
InChIKeyTVNJXXWBWGJKAL-UHFFFAOYSA-N
MW502.35 g/mol
LogP5.11
Rot. Bonds5

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

4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370718) has the molecular formula C21H13F7N4O3 and a molecular weight of 502.35 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370718
Molecular FormulaC21H13F7N4O3
Molecular Weight502.35 g/mol
Exact Mass502.09
IUPAC Name4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H13F7N4O3/c1-9-13(4-5-15(31-9)21(26,27)28)35-14-3-2-11(20(23,24)25)17(22)16(14)19(34)32-10-6-7-30-12(8-10)18(29)33/h2-8H,1H3,(H2,29,33)(H,30,32,34)
InChIKeyTVNJXXWBWGJKAL-UHFFFAOYSA-N
XLogP5.11
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.35
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370718) is 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is Cc1nc(C(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is TVNJXXWBWGJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F7N4O3/c1-9-13(4-5-15(31-9)21(26,27)28)35-14-3-2-11(20(23,24)25)17(22)16(14)19(34)32-10-6-7-30-12(8-10)18(29)33/h2-8H,1H3,(H2,29,33)(H,30,32,34).
What are the key properties of 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 502.35 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).