4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C22H15F6N3O4 — CID 154645128

IUPAC4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(C(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C22H15F6N3O4/c1-34-16-8-10(19(24)25)2-4-14(16)35-15-5-3-12(22(26,27)28)18(23)17(15)21(33)31-11-6-7-30-13(9-11)20(29)32/h2-9,19H,1H3,(H2,29,32)(H,30,31,33)
InChIKeyXYCDPKXDXPDQKG-UHFFFAOYSA-N
MW499.37 g/mol
LogP5.33
Rot. Bonds7

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

4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645128) has the molecular formula C22H15F6N3O4 and a molecular weight of 499.37 g/mol. Its IUPAC name is 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645128
Molecular FormulaC22H15F6N3O4
Molecular Weight499.37 g/mol
Exact Mass499.10
IUPAC Name4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(C(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C22H15F6N3O4/c1-34-16-8-10(19(24)25)2-4-14(16)35-15-5-3-12(22(26,27)28)18(23)17(15)21(33)31-11-6-7-30-13(9-11)20(29)32/h2-9,19H,1H3,(H2,29,32)(H,30,31,33)
InChIKeyXYCDPKXDXPDQKG-UHFFFAOYSA-N
XLogP5.33
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.37
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645128) is 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(C(F)F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is XYCDPKXDXPDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O4/c1-34-16-8-10(19(24)25)2-4-14(16)35-15-5-3-12(22(26,27)28)18(23)17(15)21(33)31-11-6-7-30-13(9-11)20(29)32/h2-9,19H,1H3,(H2,29,32)(H,30,31,33).
What are the key properties of 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 499.37 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(difluoromethyl)-2-methoxyphenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).