4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide

C22H16ClF4N3O5 — CID 137406813

IUPAC4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(Cl)cc(F)c1C(=O)Nc1cc(C(N)=O)ncc1C
InChIInChI=1S/C22H16ClF4N3O5/c1-10-9-29-15(20(28)31)8-14(10)30-21(32)19-13(24)5-11(23)6-18(19)34-16-4-3-12(7-17(16)33-2)35-22(25,26)27/h3-9H,1-2H3,(H2,28,31)(H,29,30,32)
InChIKeyGMNSJCLNJIDXCJ-UHFFFAOYSA-N
MW513.83 g/mol
LogP5.23
Rot. Bonds7

About 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide

4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide (PubChem CID 137406813) has the molecular formula C22H16ClF4N3O5 and a molecular weight of 513.83 g/mol. Its IUPAC name is 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
PubChem CID137406813
Molecular FormulaC22H16ClF4N3O5
Molecular Weight513.83 g/mol
Exact Mass513.07
IUPAC Name4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(Cl)cc(F)c1C(=O)Nc1cc(C(N)=O)ncc1C
InChIInChI=1S/C22H16ClF4N3O5/c1-10-9-29-15(20(28)31)8-14(10)30-21(32)19-13(24)5-11(23)6-18(19)34-16-4-3-12(7-17(16)33-2)35-22(25,26)27/h3-9H,1-2H3,(H2,28,31)(H,29,30,32)
InChIKeyGMNSJCLNJIDXCJ-UHFFFAOYSA-N
XLogP5.23
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.83
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406601
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
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 137406774
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
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 137418756
5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406441
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
CID 159418736
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
4-[[6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-2-methoxy-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406748

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide (CID 137406813) is 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(Cl)cc(F)c1C(=O)Nc1cc(C(N)=O)ncc1C.
What is the InChIKey of 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The InChIKey is GMNSJCLNJIDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N3O5/c1-10-9-29-15(20(28)31)8-14(10)30-21(32)19-13(24)5-11(23)6-18(19)34-16-4-3-12(7-17(16)33-2)35-22(25,26)27/h3-9H,1-2H3,(H2,28,31)(H,29,30,32).
What are the key properties of 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide has a molecular weight of 513.83 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 137406813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).