2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

C26H21N5O3S — CID 121052126

About 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 121052126) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
• PubChem CID: 121052126
• Molecular Formula: C26H21N5O3S
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.14
• IUPAC Name: 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
• SMILES: O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCCn1nc(-c2cccs2)ccc1=O
• InChI: InChI=1S/C26H21N5O3S/c32-24(27-14-15-30-25(33)13-11-22(29-30)23-9-4-16-35-23)17-31-26(34)12-10-21(28-31)20-8-3-6-18-5-1-2-7-19(18)20/h1-13,16H,14-15,17H2,(H,27,32)
• InChIKey: UFCPUWSKAVOMEB-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?

The IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (CID 121052126) is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCCn1nc(-c2cccs2)ccc1=O.

What is the InChIKey of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?

The InChIKey is UFCPUWSKAVOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c32-24(27-14-15-30-25(33)13-11-22(29-30)23-9-4-16-35-23)17-31-26(34)12-10-21(28-31)20-8-3-6-18-5-1-2-7-19(18)20/h1-13,16H,14-15,17H2,(H,27,32).

What are the key properties of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 483.55 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121052126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).