N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C23H22Cl2N4O — CID 121070715

About N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121070715) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121070715
• Molecular Formula: C23H22Cl2N4O
• Molecular Weight: 441.36 g/mol
• Exact Mass: 440.12
• IUPAC Name: N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)nn1
• InChI: InChI=1S/C23H22Cl2N4O/c1-15-5-2-3-7-20(15)21-8-9-22(28-27-21)29-10-4-6-16(14-29)23(30)26-19-12-17(24)11-18(25)13-19/h2-3,5,7-9,11-13,16H,4,6,10,14H2,1H3,(H,26,30)
• InChIKey: XXVMADBJJLNIPN-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.36
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121070715) is N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3cc(Cl)cc(Cl)c3)C2)nn1.

What is the InChIKey of N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is XXVMADBJJLNIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c1-15-5-2-3-7-20(15)21-8-9-22(28-27-21)29-10-4-6-16(14-29)23(30)26-19-12-17(24)11-18(25)13-19/h2-3,5,7-9,11-13,16H,4,6,10,14H2,1H3,(H,26,30).

What are the key properties of N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121070715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).