methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate

C24H19F6N3O7 — CID 137410960

IUPACmethyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
SMILESCCOc1c(C(F)(F)F)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C24H19F6N3O7/c1-4-38-19-18(21(34)33-12-7-8-31-14(9-12)22(35)37-3)17(11-32-20(19)23(25,26)27)39-15-6-5-13(10-16(15)36-2)40-24(28,29)30/h5-11H,4H2,1-3H3,(H,31,33,34)
InChIKeyMLXIIGDYEOSSMA-UHFFFAOYSA-N
MW575.42 g/mol
LogP5.63
Rot. Bonds9

About methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate

methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 137410960) has the molecular formula C24H19F6N3O7 and a molecular weight of 575.42 g/mol. Its IUPAC name is methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
PubChem CID137410960
Molecular FormulaC24H19F6N3O7
Molecular Weight575.42 g/mol
Exact Mass575.11
IUPAC Namemethyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
SMILESCCOc1c(C(F)(F)F)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C24H19F6N3O7/c1-4-38-19-18(21(34)33-12-7-8-31-14(9-12)22(35)37-3)17(11-32-20(19)23(25,26)27)39-15-6-5-13(10-16(15)36-2)40-24(28,29)30/h5-11H,4H2,1-3H3,(H,31,33,34)
InChIKeyMLXIIGDYEOSSMA-UHFFFAOYSA-N
XLogP5.63
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927
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-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370841
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide
CID 154645430
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
methyl 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)-2-(trihydroxymethoxy)phenoxy]-3-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxylate
CID 137418656
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-N-(2-oxidopyridazin-2-ium-4-yl)pyridine-4-carboxamide
CID 170241430

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate (CID 137410960) is methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate is CCOc1c(C(F)(F)F)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is MLXIIGDYEOSSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N3O7/c1-4-38-19-18(21(34)33-12-7-8-31-14(9-12)22(35)37-3)17(11-32-20(19)23(25,26)27)39-15-6-5-13(10-16(15)36-2)40-24(28,29)30/h5-11H,4H2,1-3H3,(H,31,33,34).
What are the key properties of methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate?
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 575.42 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 137410960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).