N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C26H26N6O2S — CID 121071245

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071245) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
• PubChem CID: 121071245
• Molecular Formula: C26H26N6O2S
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.18
• IUPAC Name: N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
• SMILES: O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCN(c2ccc(-c3ccccc3)nn2)C1
• InChI: InChI=1S/C26H26N6O2S/c33-25-13-11-22(23-9-5-17-35-23)30-32(25)16-14-27-26(34)20-8-4-15-31(18-20)24-12-10-21(28-29-24)19-6-2-1-3-7-19/h1-3,5-7,9-13,17,20H,4,8,14-16,18H2,(H,27,34)
• InChIKey: RILXJYZDHVWBND-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 93.01 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	486.60
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?

The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071245) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCN(c2ccc(-c3ccccc3)nn2)C1.

What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?

The InChIKey is RILXJYZDHVWBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c33-25-13-11-22(23-9-5-17-35-23)30-32(25)16-14-27-26(34)20-8-4-15-31(18-20)24-12-10-21(28-29-24)19-6-2-1-3-7-19/h1-3,5-7,9-13,17,20H,4,8,14-16,18H2,(H,27,34).

What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).