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

C23H22Cl2N4O2 — CID 121071987

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

N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 121071987) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
• PubChem CID: 121071987
• Molecular Formula: C23H22Cl2N4O2
• Molecular Weight: 457.36 g/mol
• Exact Mass: 456.11
• IUPAC Name: N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
• SMILES: COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)nn1
• InChI: InChI=1S/C23H22Cl2N4O2/c1-31-20-8-3-2-5-16(20)18-9-10-21(28-27-18)29-13-11-15(12-14-29)23(30)26-19-7-4-6-17(24)22(19)25/h2-10,15H,11-14H2,1H3,(H,26,30)
• InChIKey: JUUOBUBOKUZOEB-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.36
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 121071987) is N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)nn1.

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

The InChIKey is JUUOBUBOKUZOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-31-20-8-3-2-5-16(20)18-9-10-21(28-27-18)29-13-11-15(12-14-29)23(30)26-19-7-4-6-17(24)22(19)25/h2-10,15H,11-14H2,1H3,(H,26,30).

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

N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121071987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).