2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

C28H30N4O2+2 — CID 24844717

About 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (PubChem CID 24844717) has the molecular formula C28H30N4O2+2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
• PubChem CID: 24844717
• Molecular Formula: C28H30N4O2+2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
• SMILES: Cc1ccc[n+](CC(=O)Nc2cccc3c(NC(=O)C[n+]4cccc(C)c4C)cccc23)c1C
• InChI: InChI=1S/C28H28N4O2/c1-19-9-7-15-31(21(19)3)17-27(33)29-25-13-5-12-24-23(25)11-6-14-26(24)30-28(34)18-32-16-8-10-20(2)22(32)4/h5-16H,17-18H2,1-4H3/p+2
• InChIKey: UFHJLWBTVSTTFY-UHFFFAOYSA-P
• XLogP: 3.93
• TPSA: 65.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The IUPAC name of 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (CID 24844717) is 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.

What is the SMILES notation for 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The canonical SMILES for 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is Cc1ccc[n+](CC(=O)Nc2cccc3c(NC(=O)C[n+]4cccc(C)c4C)cccc23)c1C.

What is the InChIKey of 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

The InChIKey is UFHJLWBTVSTTFY-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H28N4O2/c1-19-9-7-15-31(21(19)3)17-27(33)29-25-13-5-12-24-23(25)11-6-14-26(24)30-28(34)18-32-16-8-10-20(2)22(32)4/h5-16H,17-18H2,1-4H3/p+2.

What are the key properties of 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?

2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is sourced from PubChem (CID 24844717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).