1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide

C27H26N6O3 — CID 71805015

About 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide (PubChem CID 71805015) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
• PubChem CID: 71805015
• Molecular Formula: C27H26N6O3
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.21
• IUPAC Name: 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
• SMILES: COc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccccc3-c3ccc(=O)[nH]n3)C2)nn1
• InChI: InChI=1S/C27H26N6O3/c1-36-24-11-5-3-9-20(24)23-12-14-25(31-29-23)33-16-6-7-18(17-33)27(35)28-21-10-4-2-8-19(21)22-13-15-26(34)32-30-22/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,28,35)(H,32,34)
• InChIKey: OOPFVWZVMRDCIV-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide (CID 71805015) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide is COc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccccc3-c3ccc(=O)[nH]n3)C2)nn1.

What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide?

The InChIKey is OOPFVWZVMRDCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-36-24-11-5-3-9-20(24)23-12-14-25(31-29-23)33-16-6-7-18(17-33)27(35)28-21-10-4-2-8-19(21)22-13-15-26(34)32-30-22/h2-5,8-15,18H,6-7,16-17H2,1H3,(H,28,35)(H,32,34).

What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide?

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 71805015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).