4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C23H18F5N3O4 — CID 154645111

IUPAC4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1F
InChIInChI=1S/C23H18F5N3O4/c1-11(2)34-16-6-7-17(20(25)19(16)24)35-15-5-3-4-13(23(26,27)28)18(15)22(33)31-12-8-9-30-14(10-12)21(29)32/h3-11H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyONWBMAUKGDJDKU-UHFFFAOYSA-N
MW495.40 g/mol
LogP5.31
Rot. Bonds7

About 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645111) has the molecular formula C23H18F5N3O4 and a molecular weight of 495.40 g/mol. Its IUPAC name is 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645111
Molecular FormulaC23H18F5N3O4
Molecular Weight495.40 g/mol
Exact Mass495.12
IUPAC Name4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1F
InChIInChI=1S/C23H18F5N3O4/c1-11(2)34-16-6-7-17(20(25)19(16)24)35-15-5-3-4-13(23(26,27)28)18(15)22(33)31-12-8-9-30-14(10-12)21(29)32/h3-11H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyONWBMAUKGDJDKU-UHFFFAOYSA-N
XLogP5.31
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645111) is 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is CC(C)Oc1ccc(Oc2cccc(C(F)(F)F)c2C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1F.
What is the InChIKey of 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is ONWBMAUKGDJDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O4/c1-11(2)34-16-6-7-17(20(25)19(16)24)35-15-5-3-4-13(23(26,27)28)18(15)22(33)31-12-8-9-30-14(10-12)21(29)32/h3-11H,1-2H3,(H2,29,32)(H,30,31,33).
What are the key properties of 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 495.40 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-difluoro-4-propan-2-yloxyphenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).