methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate

C23H18ClF3N2O6 — CID 137406774

IUPACmethyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Oc2ccc(OC(F)(F)F)cc2OC)c(C)cn1
InChIInChI=1S/C23H18ClF3N2O6/c1-12-11-28-17(22(31)33-3)10-16(12)29-21(30)15-8-13(24)4-6-18(15)34-19-7-5-14(9-20(19)32-2)35-23(25,26)27/h4-11H,1-3H3,(H,28,29,30)
InChIKeyIIEBMOLYTUUNBW-UHFFFAOYSA-N
MW510.85 g/mol
LogP5.78
Rot. Bonds7

About methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate

methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate (PubChem CID 137406774) has the molecular formula C23H18ClF3N2O6 and a molecular weight of 510.85 g/mol. Its IUPAC name is methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
PubChem CID137406774
Molecular FormulaC23H18ClF3N2O6
Molecular Weight510.85 g/mol
Exact Mass510.08
IUPAC Namemethyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Oc2ccc(OC(F)(F)F)cc2OC)c(C)cn1
InChIInChI=1S/C23H18ClF3N2O6/c1-12-11-28-17(22(31)33-3)10-16(12)29-21(30)15-8-13(24)4-6-18(15)34-19-7-5-14(9-20(19)32-2)35-23(25,26)27/h4-11H,1-3H3,(H,28,29,30)
InChIKeyIIEBMOLYTUUNBW-UHFFFAOYSA-N
XLogP5.78
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.85
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate with MolForge

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Related Compounds

4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 161475679
4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601
N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 159746635
N-(2-acetyl-5-chloro-4-pyridinyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide;N-(2-acetyl-4-pyridinyl)-4-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 162010751
methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 90315046
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 137406753
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 137406655
4,5-dichloro-2-[2-(deuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-ylbenzamide
CID 170632923
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate (CID 137406774) is methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate is COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Oc2ccc(OC(F)(F)F)cc2OC)c(C)cn1.
What is the InChIKey of methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate?
The InChIKey is IIEBMOLYTUUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O6/c1-12-11-28-17(22(31)33-3)10-16(12)29-21(30)15-8-13(24)4-6-18(15)34-19-7-5-14(9-20(19)32-2)35-23(25,26)27/h4-11H,1-3H3,(H,28,29,30).
What are the key properties of methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate?
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate has a molecular weight of 510.85 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 137406774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).