1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C20H16F3N3O2 — CID 146988708

IUPAC1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(F)(F)F)cn3)c2)cn1
InChIInChI=1S/C20H16F3N3O2/c1-12-3-6-16(11-24-12)28-17-7-13(2)26-18(9-17)19(27)8-15-5-4-14(10-25-15)20(21,22)23/h3-7,9-11H,8H2,1-2H3
InChIKeyAPTRENTYCKMIKZ-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.72
Rot. Bonds5

About 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 146988708) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID146988708
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(F)(F)F)cn3)c2)cn1
InChIInChI=1S/C20H16F3N3O2/c1-12-3-6-16(11-24-12)28-17-7-13(2)26-18(9-17)19(27)8-15-5-4-14(10-25-15)20(21,22)23/h3-7,9-11H,8H2,1-2H3
InChIKeyAPTRENTYCKMIKZ-UHFFFAOYSA-N
XLogP4.72
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
US8598345, Table 1-9
CID 51038607
Pyridin-2-yl(4-(3-(pyridin-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59374257
(3-ethoxy-6-methylpyridin-2-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630025
4-(4-Fluorophenyl)-5-((1-((2-(trifluoromethyl)pyridin-4-yl)oxy)propan-2-yl)oxy)picolinamide
CID 122539597
4-(2-Fluoro-4-methoxyphenyl)-5-((6-methylpyridin-3-yl)methoxy)picolinamide
CID 122539601
4-(4-Fluorophenyl)-5-(2-((2-(trifluoromethyl)pyridin-4-yl)oxy)ethoxy)picolinamide
CID 122539626
4-(4-Fluorophenyl)-5-((6-(trifluoromethyl)pyridin-3-yl)methoxy)picolinamide
CID 122539652
4-(4-Fluorophenyl)-5-(2-((5-fluoropyridin-3-yl)oxy)ethoxy)picolinamide
CID 122539659
4-(4-Fluorophenyl)-5-(pyridin-3-ylmethoxy)picolinamide
CID 122539668

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 146988708) is 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1ccc(Oc2cc(C)nc(C(=O)Cc3ccc(C(F)(F)F)cn3)c2)cn1.
What is the InChIKey of 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is APTRENTYCKMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-3-6-16(11-24-12)28-17-7-13(2)26-18(9-17)19(27)8-15-5-4-14(10-25-15)20(21,22)23/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 387.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 146988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).