3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide

C29H29N3O4 — CID 58103471

About 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 58103471) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
• PubChem CID: 58103471
• Molecular Formula: C29H29N3O4
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.22
• IUPAC Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCCc4ccccn4)c3)n2)cc1OC
• InChI: InChI=1S/C29H29N3O4/c1-34-26-13-12-21(19-27(26)35-2)15-18-36-28-11-6-10-25(32-28)22-7-5-8-23(20-22)29(33)31-17-14-24-9-3-4-16-30-24/h3-13,16,19-20H,14-15,17-18H2,1-2H3,(H,31,33)
• InChIKey: DFOJZKOHXICWRZ-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide?

The IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 58103471) is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide.

What is the SMILES notation for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide?

The canonical SMILES for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide is COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCCc4ccccn4)c3)n2)cc1OC.

What is the InChIKey of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide?

The InChIKey is DFOJZKOHXICWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-34-26-13-12-21(19-27(26)35-2)15-18-36-28-11-6-10-25(32-28)22-7-5-8-23(20-22)29(33)31-17-14-24-9-3-4-16-30-24/h3-13,16,19-20H,14-15,17-18H2,1-2H3,(H,31,33).

What are the key properties of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide?

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 58103471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).