2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide

C25H23N5O3 — CID 122280800

About 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide (PubChem CID 122280800) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
• PubChem CID: 122280800
• Molecular Formula: C25H23N5O3
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.18
• IUPAC Name: 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
• SMILES: O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCCn1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C25H23N5O3/c31-23(26-13-14-29-25(33)15-18-7-4-10-21(18)27-29)16-30-24(32)12-11-22(28-30)20-9-3-6-17-5-1-2-8-19(17)20/h1-3,5-6,8-9,11-12,15H,4,7,10,13-14,16H2,(H,26,31)
• InChIKey: DYDUHDWPGOWMIF-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide?

The IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide (CID 122280800) is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide?

The canonical SMILES for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCCn1nc2c(cc1=O)CCC2.

What is the InChIKey of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide?

The InChIKey is DYDUHDWPGOWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-23(26-13-14-29-25(33)15-18-7-4-10-21(18)27-29)16-30-24(32)12-11-22(28-30)20-9-3-6-17-5-1-2-8-19(17)20/h1-3,5-6,8-9,11-12,15H,4,7,10,13-14,16H2,(H,26,31).

What are the key properties of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide?

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 122280800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).