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

C23H16F7N3O6 — CID 154645517

IUPAC4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(OC)c(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C23H16F7N3O6/c1-36-14-8-11(39-23(28,29)30)3-4-13(14)38-15-9-16(37-2)18(22(25,26)27)19(24)17(15)21(35)33-10-5-6-32-12(7-10)20(31)34/h3-9H,1-2H3,(H2,31,34)(H,32,33,35)
InChIKeyFTGXJMQFAMEXKW-UHFFFAOYSA-N
MW563.38 g/mol
LogP5.30
Rot. Bonds8

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

4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645517) has the molecular formula C23H16F7N3O6 and a molecular weight of 563.38 g/mol. Its IUPAC name is 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645517
Molecular FormulaC23H16F7N3O6
Molecular Weight563.38 g/mol
Exact Mass563.09
IUPAC Name4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(OC)c(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C23H16F7N3O6/c1-36-14-8-11(39-23(28,29)30)3-4-13(14)38-15-9-16(37-2)18(22(25,26)27)19(24)17(15)21(35)33-10-5-6-32-12(7-10)20(31)34/h3-9H,1-2H3,(H2,31,34)(H,32,33,35)
InChIKeyFTGXJMQFAMEXKW-UHFFFAOYSA-N
XLogP5.30
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.38
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645517) is 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(OC)c(C(F)(F)F)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is FTGXJMQFAMEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F7N3O6/c1-36-14-8-11(39-23(28,29)30)3-4-13(14)38-15-9-16(37-2)18(22(25,26)27)19(24)17(15)21(35)33-10-5-6-32-12(7-10)20(31)34/h3-9H,1-2H3,(H2,31,34)(H,32,33,35).
What are the key properties of 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 563.38 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).