4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide

C22H16ClF4N3O5 — CID 137406601

IUPAC4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1cc(C(N)=O)ncc1C
InChIInChI=1S/C22H16ClF4N3O5/c1-10-9-29-14(20(28)31)8-13(10)30-21(32)18-16(6-4-12(23)19(18)24)34-15-5-3-11(7-17(15)33-2)35-22(25,26)27/h3-9H,1-2H3,(H2,28,31)(H,29,30,32)
InChIKeyDMMOSAJJMANBQV-UHFFFAOYSA-N
MW513.83 g/mol
LogP5.23
Rot. Bonds7

About 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide

4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide (PubChem CID 137406601) has the molecular formula C22H16ClF4N3O5 and a molecular weight of 513.83 g/mol. Its IUPAC name is 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
PubChem CID137406601
Molecular FormulaC22H16ClF4N3O5
Molecular Weight513.83 g/mol
Exact Mass513.07
IUPAC Name4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1cc(C(N)=O)ncc1C
InChIInChI=1S/C22H16ClF4N3O5/c1-10-9-29-14(20(28)31)8-13(10)30-21(32)18-16(6-4-12(23)19(18)24)34-15-5-3-11(7-17(15)33-2)35-22(25,26)27/h3-9H,1-2H3,(H2,28,31)(H,29,30,32)
InChIKeyDMMOSAJJMANBQV-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-[[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
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
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 137406774
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
4-[[6-[3-fluoro-2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-2-methoxy-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406748
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
N-(2-bromo-5-methyl-4-pyridinyl)-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzamide
CID 170201834
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide (CID 137406601) is 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1C(=O)Nc1cc(C(N)=O)ncc1C.
What is the InChIKey of 4-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
The InChIKey is DMMOSAJJMANBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N3O5/c1-10-9-29-14(20(28)31)8-13(10)30-21(32)18-16(6-4-12(23)19(18)24)34-15-5-3-11(7-17(15)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-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide?
4-[[3-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-[[3-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 137406601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).