4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H19F3N6O2 — CID 23646935

IUPAC4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1
InChIInChI=1S/C24H19F3N6O2/c1-14-8-9-15(21(34)32-17-6-3-5-16(12-17)24(25,26)27)11-19(14)35-22-18(7-4-10-29-22)20-30-13-31-23(28-2)33-20/h3-13H,1-2H3,(H,32,34)(H,28,30,31,33)
InChIKeyAQJFXYZAOCPIBG-UHFFFAOYSA-N
MW480.45 g/mol
LogP5.35
Rot. Bonds6

About 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 23646935) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID23646935
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1
InChIInChI=1S/C24H19F3N6O2/c1-14-8-9-15(21(34)32-17-6-3-5-16(12-17)24(25,26)27)11-19(14)35-22-18(7-4-10-29-22)20-30-13-31-23(28-2)33-20/h3-13H,1-2H3,(H,32,34)(H,28,30,31,33)
InChIKeyAQJFXYZAOCPIBG-UHFFFAOYSA-N
XLogP5.35
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 23646935) is 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1.
What is the InChIKey of 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AQJFXYZAOCPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c1-14-8-9-15(21(34)32-17-6-3-5-16(12-17)24(25,26)27)11-19(14)35-22-18(7-4-10-29-22)20-30-13-31-23(28-2)33-20/h3-13H,1-2H3,(H,32,34)(H,28,30,31,33).
What are the key properties of 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 480.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 23646935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).