4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C24H22F3N3O5 — CID 167370824

IUPAC4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(C)cc(OC)c1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H22F3N3O5/c1-12-9-18(33-3)21(19(10-12)34-4)35-17-6-5-15(24(25,26)27)13(2)20(17)23(32)30-14-7-8-29-16(11-14)22(28)31/h5-11H,1-4H3,(H2,28,31)(H,29,30,32)
InChIKeyXWJMJDIUWFGTIH-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.88
Rot. Bonds7

About 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370824) has the molecular formula C24H22F3N3O5 and a molecular weight of 489.45 g/mol. Its IUPAC name is 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370824
Molecular FormulaC24H22F3N3O5
Molecular Weight489.45 g/mol
Exact Mass489.15
IUPAC Name4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(C)cc(OC)c1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H22F3N3O5/c1-12-9-18(33-3)21(19(10-12)34-4)35-17-6-5-15(24(25,26)27)13(2)20(17)23(32)30-14-7-8-29-16(11-14)22(28)31/h5-11H,1-4H3,(H2,28,31)(H,29,30,32)
InChIKeyXWJMJDIUWFGTIH-UHFFFAOYSA-N
XLogP4.88
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645104
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370737
4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370841
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
5-[[6-(2-chloro-4-fluorophenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645470
4-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370824) is 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(C)cc(OC)c1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is XWJMJDIUWFGTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5/c1-12-9-18(33-3)21(19(10-12)34-4)35-17-6-5-15(24(25,26)27)13(2)20(17)23(32)30-14-7-8-29-16(11-14)22(28)31/h5-11H,1-4H3,(H2,28,31)(H,29,30,32).
What are the key properties of 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 489.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).