N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C21H24N8O3 — CID 90601345

About N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601345) has the molecular formula C21H24N8O3 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
• PubChem CID: 90601345
• Molecular Formula: C21H24N8O3
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1
• InChI: InChI=1S/C21H24N8O3/c1-14(30)24-16-3-4-18(32-2)17(11-16)25-21(31)15-7-9-28(10-8-15)19-5-6-20(27-26-19)29-13-22-12-23-29/h3-6,11-13,15H,7-10H2,1-2H3,(H,24,30)(H,25,31)
• InChIKey: BFPSZYIXZDUSQW-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 127.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601345) is N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1.

What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

The InChIKey is BFPSZYIXZDUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3/c1-14(30)24-16-3-4-18(32-2)17(11-16)25-21(31)15-7-9-28(10-8-15)19-5-6-20(27-26-19)29-13-22-12-23-29/h3-6,11-13,15H,7-10H2,1-2H3,(H,24,30)(H,25,31).

What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?

N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).