N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide

C27H23F3N4O3 — CID 58588476

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide (PubChem CID 58588476) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide
• PubChem CID: 58588476
• Molecular Formula: C27H23F3N4O3
• Molecular Weight: 508.50 g/mol
• Exact Mass: 508.17
• IUPAC Name: N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide
• SMILES: CNc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(OC)cc(C(F)(F)F)c3)ccc2C)ccn1
• InChI: InChI=1S/C27H23F3N4O3/c1-16-6-7-18(25(35)34-20-13-19(27(28,29)30)14-21(15-20)36-3)11-23(16)37-26-22(5-4-9-33-26)17-8-10-32-24(12-17)31-2/h4-15H,1-3H3,(H,31,32)(H,34,35)
• InChIKey: KNURHLNMVUISRY-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.50
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide?

The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide (CID 58588476) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide.

What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide?

The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide is CNc1cc(-c2cccnc2Oc2cc(C(=O)Nc3cc(OC)cc(C(F)(F)F)c3)ccc2C)ccn1.

What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide?

The InChIKey is KNURHLNMVUISRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-16-6-7-18(25(35)34-20-13-19(27(28,29)30)14-21(15-20)36-3)11-23(16)37-26-22(5-4-9-33-26)17-8-10-32-24(12-17)31-2/h4-15H,1-3H3,(H,31,32)(H,34,35).

What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide?

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide has a molecular weight of 508.50 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58588476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).