3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C26H26ClN3O3 — CID 83285420

About 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83285420) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 83285420
• Molecular Formula: C26H26ClN3O3
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.17
• IUPAC Name: 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: COc1ccc(C(CC(=O)NCCc2ccccn2)c2c[nH]c3ccc(Cl)cc23)cc1OC
• InChI: InChI=1S/C26H26ClN3O3/c1-32-24-9-6-17(13-25(24)33-2)20(22-16-30-23-8-7-18(27)14-21(22)23)15-26(31)29-12-10-19-5-3-4-11-28-19/h3-9,11,13-14,16,20,30H,10,12,15H2,1-2H3,(H,29,31)
• InChIKey: DSWBPUMQYRLMSR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 83285420) is 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide is COc1ccc(C(CC(=O)NCCc2ccccn2)c2c[nH]c3ccc(Cl)cc23)cc1OC.

What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is DSWBPUMQYRLMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-32-24-9-6-17(13-25(24)33-2)20(22-16-30-23-8-7-18(27)14-21(22)23)15-26(31)29-12-10-19-5-3-4-11-28-19/h3-9,11,13-14,16,20,30H,10,12,15H2,1-2H3,(H,29,31).

What are the key properties of 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide?

3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 463.97 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83285420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).