methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

C23H19F3N2O6 — CID 90315046

IUPACmethyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C23H19F3N2O6/c1-31-15-6-9-19(20(11-15)32-2)34-18-8-4-13(23(24,25)26)10-16(18)21(29)28-14-5-7-17(27-12-14)22(30)33-3/h4-12H,1-3H3,(H,28,29)
InChIKeyHNBYBRGWFKNHNX-UHFFFAOYSA-N
MW476.41 g/mol
LogP4.95
Rot. Bonds7

About methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate

methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (PubChem CID 90315046) has the molecular formula C23H19F3N2O6 and a molecular weight of 476.41 g/mol. Its IUPAC name is methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
PubChem CID90315046
Molecular FormulaC23H19F3N2O6
Molecular Weight476.41 g/mol
Exact Mass476.12
IUPAC Namemethyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC)cc2OC)cn1
InChIInChI=1S/C23H19F3N2O6/c1-31-15-6-9-19(20(11-15)32-2)34-18-8-4-13(23(24,25)26)10-16(18)21(29)28-14-5-7-17(27-12-14)22(30)33-3/h4-12H,1-3H3,(H,28,29)
InChIKeyHNBYBRGWFKNHNX-UHFFFAOYSA-N
XLogP4.95
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 137406774
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
3-methoxy-N-(4-methoxyphenyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 1255593
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
CID 137410960
N-(1-hydroxypyridin-1-ium-3-yl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 170241955
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
2-fluoro-5-[[2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 162720938
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate (CID 90315046) is methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(OC)cc2OC)cn1.
What is the InChIKey of methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
The InChIKey is HNBYBRGWFKNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O6/c1-31-15-6-9-19(20(11-15)32-2)34-18-8-4-13(23(24,25)26)10-16(18)21(29)28-14-5-7-17(27-12-14)22(30)33-3/h4-12H,1-3H3,(H,28,29).
What are the key properties of methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate?
methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate has a molecular weight of 476.41 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 90315046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).