4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C23H15F8N3O6 — CID 154645112

IUPAC4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1C(F)(F)F
InChIInChI=1S/C23H15F8N3O6/c1-37-14-8-13(39-12-4-3-11(40-23(29,30)31)17(24)19(12)38-2)15(18(25)16(14)22(26,27)28)21(36)34-9-5-6-33-10(7-9)20(32)35/h3-8H,1-2H3,(H2,32,35)(H,33,34,36)
InChIKeyOUXUOQPRJFFUNP-UHFFFAOYSA-N
MW581.37 g/mol
LogP5.44
Rot. Bonds8

About 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645112) has the molecular formula C23H15F8N3O6 and a molecular weight of 581.37 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645112
Molecular FormulaC23H15F8N3O6
Molecular Weight581.37 g/mol
Exact Mass581.08
IUPAC Name4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1C(F)(F)F
InChIInChI=1S/C23H15F8N3O6/c1-37-14-8-13(39-12-4-3-11(40-23(29,30)31)17(24)19(12)38-2)15(18(25)16(14)22(26,27)28)21(36)34-9-5-6-33-10(7-9)20(32)35/h3-8H,1-2H3,(H2,32,35)(H,33,34,36)
InChIKeyOUXUOQPRJFFUNP-UHFFFAOYSA-N
XLogP5.44
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.37
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645112) is 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1C(F)(F)F.
What is the InChIKey of 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is OUXUOQPRJFFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F8N3O6/c1-37-14-8-13(39-12-4-3-11(40-23(29,30)31)17(24)19(12)38-2)15(18(25)16(14)22(26,27)28)21(36)34-9-5-6-33-10(7-9)20(32)35/h3-8H,1-2H3,(H2,32,35)(H,33,34,36).
What are the key properties of 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 581.37 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).