N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C21H18F3N3O4 — CID 55677465

IUPACN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C21H18F3N3O4/c1-13-5-7-16(17(10-13)30-2)31-19-8-6-14(11-25-19)26-18(28)12-27-9-3-4-15(20(27)29)21(22,23)24/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyLXLLIGKDHKJDLR-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.01
Rot. Bonds6

About N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55677465) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55677465
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C21H18F3N3O4/c1-13-5-7-16(17(10-13)30-2)31-19-8-6-14(11-25-19)26-18(28)12-27-9-3-4-15(20(27)29)21(22,23)24/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyLXLLIGKDHKJDLR-UHFFFAOYSA-N
XLogP4.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

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Related Compounds

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55674821
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375
N-(4-imidazol-1-ylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37183985
N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55530384
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
CID 55675161
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55674879
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55677465) is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is COc1cc(C)ccc1Oc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cn1.
What is the InChIKey of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is LXLLIGKDHKJDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-13-5-7-16(17(10-13)30-2)31-19-8-6-14(11-25-19)26-18(28)12-27-9-3-4-15(20(27)29)21(22,23)24/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55677465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).