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

C23H17F3N6O2 — CID 58587863

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

N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 58587863) has the molecular formula C23H17F3N6O2 and a molecular weight of 466.42 g/mol. Its IUPAC name is N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 58587863
• Molecular Formula: C23H17F3N6O2
• Molecular Weight: 466.42 g/mol
• Exact Mass: 466.14
• IUPAC Name: N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: CNc1ncnc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1
• InChI: InChI=1S/C23H17F3N6O2/c1-27-22-30-13-29-19(32-22)18-9-4-10-28-21(18)34-17-8-3-7-16(12-17)31-20(33)14-5-2-6-15(11-14)23(24,25)26/h2-13H,1H3,(H,31,33)(H,27,29,30,32)
• InChIKey: WMNYCMUPZJRHGS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.42
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide (CID 58587863) is N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is CNc1ncnc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1.

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

The InChIKey is WMNYCMUPZJRHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2/c1-27-22-30-13-29-19(32-22)18-9-4-10-28-21(18)34-17-8-3-7-16(12-17)31-20(33)14-5-2-6-15(11-14)23(24,25)26/h2-13H,1H3,(H,31,33)(H,27,29,30,32).

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

N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 466.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58587863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).