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

C24H15F8N3O4 — CID 154645079

IUPAC4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(F)c3C3CC3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C24H15F8N3O4/c25-19-12(23(27,28)29)3-4-15(18(19)22(37)35-11-7-8-34-13(9-11)21(33)36)38-14-5-6-16(39-24(30,31)32)20(26)17(14)10-1-2-10/h3-10H,1-2H2,(H2,33,36)(H,34,35,37)
InChIKeyFCWFYHNMEXSLCJ-UHFFFAOYSA-N
MW561.39 g/mol
LogP6.30
Rot. Bonds7

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

4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645079) has the molecular formula C24H15F8N3O4 and a molecular weight of 561.39 g/mol. Its IUPAC name is 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645079
Molecular FormulaC24H15F8N3O4
Molecular Weight561.39 g/mol
Exact Mass561.09
IUPAC Name4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(F)c3C3CC3)ccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C24H15F8N3O4/c25-19-12(23(27,28)29)3-4-15(18(19)22(37)35-11-7-8-34-13(9-11)21(33)36)38-14-5-6-16(39-24(30,31)32)20(26)17(14)10-1-2-10/h3-10H,1-2H2,(H2,33,36)(H,34,35,37)
InChIKeyFCWFYHNMEXSLCJ-UHFFFAOYSA-N
XLogP6.30
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.39
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645079) is 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(F)c3C3CC3)ccc(C(F)(F)F)c2F)ccn1.
What is the InChIKey of 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is FCWFYHNMEXSLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F8N3O4/c25-19-12(23(27,28)29)3-4-15(18(19)22(37)35-11-7-8-34-13(9-11)21(33)36)38-14-5-6-16(39-24(30,31)32)20(26)17(14)10-1-2-10/h3-10H,1-2H2,(H2,33,36)(H,34,35,37).
What are the key properties of 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 561.39 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-cyclopropyl-3-fluoro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).