2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

C27H31N5O2 — CID 122305612

About 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide

2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 122305612) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
• PubChem CID: 122305612
• Molecular Formula: C27H31N5O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.25
• IUPAC Name: 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
• SMILES: Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nn2)n1
• InChI: InChI=1S/C27H31N5O2/c1-17-9-18(2)32(31-17)24-7-8-26(30-29-24)34-23-5-3-22(4-6-23)28-25(33)16-27-13-19-10-20(14-27)12-21(11-19)15-27/h3-9,19-21H,10-16H2,1-2H3,(H,28,33)
• InChIKey: ZDUPKNXPPYDVKH-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?

The IUPAC name of 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide (CID 122305612) is 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide.

What is the SMILES notation for 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?

The canonical SMILES for 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nn2)n1.

What is the InChIKey of 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?

The InChIKey is ZDUPKNXPPYDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-17-9-18(2)32(31-17)24-7-8-26(30-29-24)34-23-5-3-22(4-6-23)28-25(33)16-27-13-19-10-20(14-27)12-21(11-19)15-27/h3-9,19-21H,10-16H2,1-2H3,(H,28,33).

What are the key properties of 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide?

2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 457.58 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 122305612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).