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

C23H16F4N6O2 — CID 58588172

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

2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58588172) has the molecular formula C23H16F4N6O2 and a molecular weight of 484.41 g/mol. Its IUPAC name is 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 58588172
• Molecular Formula: C23H16F4N6O2
• Molecular Weight: 484.41 g/mol
• Exact Mass: 484.13
• IUPAC Name: 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1
• InChI: InChI=1S/C23H16F4N6O2/c1-28-22-31-12-30-19(33-22)16-6-3-9-29-21(16)35-15-7-8-18(24)17(11-15)20(34)32-14-5-2-4-13(10-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,28,30,31,33)
• InChIKey: MHPSNYNUOHFHGI-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.41
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58588172) is 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1.

What is the InChIKey of 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is MHPSNYNUOHFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N6O2/c1-28-22-31-12-30-19(33-22)16-6-3-9-29-21(16)35-15-7-8-18(24)17(11-15)20(34)32-14-5-2-4-13(10-14)23(25,26)27/h2-12H,1H3,(H,32,34)(H,28,30,31,33).

What are the key properties of 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?

2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 484.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58588172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).