4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide

C28H29N5O2 — CID 58396738

About 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide

4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide (PubChem CID 58396738) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide
• PubChem CID: 58396738
• Molecular Formula: C28H29N5O2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.23
• IUPAC Name: 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide
• SMILES: CCCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1
• InChI: InChI=1S/C28H29N5O2/c1-5-8-25-30-17-31-26(33-25)23-11-7-14-29-28(23)35-24-16-21(13-12-19(24)4)27(34)32-22-10-6-9-20(15-22)18(2)3/h6-7,9-18H,5,8H2,1-4H3,(H,32,34)
• InChIKey: LSZZBZGJVVUJRX-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide?

The IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide (CID 58396738) is 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide.

What is the SMILES notation for 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide?

The canonical SMILES for 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide is CCCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1.

What is the InChIKey of 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide?

The InChIKey is LSZZBZGJVVUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-5-8-25-30-17-31-26(33-25)23-11-7-14-29-28(23)35-24-16-21(13-12-19(24)4)27(34)32-22-10-6-9-20(15-22)18(2)3/h6-7,9-18H,5,8H2,1-4H3,(H,32,34).

What are the key properties of 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide?

4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide has a molecular weight of 467.57 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58396738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).