4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C22H17F4N3O4 — CID 167370765

IUPAC4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(C(F)(F)F)ccc(Oc2ccc(F)c(C)c2)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C22H17F4N3O4/c1-11-9-13(3-5-15(11)23)33-17-6-4-14(22(24,25)26)19(32-2)18(17)21(31)29-12-7-8-28-16(10-12)20(27)30/h3-10H,1-2H3,(H2,27,30)(H,28,29,31)
InChIKeyVBXXWMDLDHYCNW-UHFFFAOYSA-N
MW463.39 g/mol
LogP4.70
Rot. Bonds6

About 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370765) has the molecular formula C22H17F4N3O4 and a molecular weight of 463.39 g/mol. Its IUPAC name is 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370765
Molecular FormulaC22H17F4N3O4
Molecular Weight463.39 g/mol
Exact Mass463.12
IUPAC Name4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(C(F)(F)F)ccc(Oc2ccc(F)c(C)c2)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C22H17F4N3O4/c1-11-9-13(3-5-15(11)23)33-17-6-4-14(22(24,25)26)19(32-2)18(17)21(31)29-12-7-8-28-16(10-12)20(27)30/h3-10H,1-2H3,(H2,27,30)(H,28,29,31)
InChIKeyVBXXWMDLDHYCNW-UHFFFAOYSA-N
XLogP4.70
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370824
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
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
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
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-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130
4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370737
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370765) is 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1c(C(F)(F)F)ccc(Oc2ccc(F)c(C)c2)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is VBXXWMDLDHYCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O4/c1-11-9-13(3-5-15(11)23)33-17-6-4-14(22(24,25)26)19(32-2)18(17)21(31)29-12-7-8-28-16(10-12)20(27)30/h3-10H,1-2H3,(H2,27,30)(H,28,29,31).
What are the key properties of 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 463.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).