N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide

C32H34N4O6 — CID 102382502

About N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide

N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide (PubChem CID 102382502) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide.

Molecular Properties

• Compound Name: N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide
• PubChem CID: 102382502
• Molecular Formula: C32H34N4O6
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide
• SMILES: O=C(NCc1ccccn1)c1ccccc1OCCOCCOCCOc1ccccc1C(=O)NCc1ccccn1
• InChI: InChI=1S/C32H34N4O6/c37-31(35-23-25-9-5-7-15-33-25)27-11-1-3-13-29(27)41-21-19-39-17-18-40-20-22-42-30-14-4-2-12-28(30)32(38)36-24-26-10-6-8-16-34-26/h1-16H,17-24H2,(H,35,37)(H,36,38)
• InChIKey: XTDDCTDTRWSWHY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 120.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide?

The IUPAC name of N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide (CID 102382502) is N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide.

What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide?

The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide is O=C(NCc1ccccn1)c1ccccc1OCCOCCOCCOc1ccccc1C(=O)NCc1ccccn1.

What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide?

The InChIKey is XTDDCTDTRWSWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O6/c37-31(35-23-25-9-5-7-15-33-25)27-11-1-3-13-29(27)41-21-19-39-17-18-40-20-22-42-30-14-4-2-12-28(30)32(38)36-24-26-10-6-8-16-34-26/h1-16H,17-24H2,(H,35,37)(H,36,38).

What are the key properties of N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide?

N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 570.65 g/mol, XLogP of 3.83, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyridin-2-ylmethyl)-2-[2-[2-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]ethoxy]ethoxy]ethoxy]benzamide is sourced from PubChem (CID 102382502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).