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

C24H25ClN4O2 — CID 121070721

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

N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121070721) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 121070721
• Molecular Formula: C24H25ClN4O2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.17
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)C1CCCN(c2ccc(-c3ccccc3C)nn2)C1
• InChI: InChI=1S/C24H25ClN4O2/c1-16-6-3-4-8-19(16)20-10-12-23(28-27-20)29-13-5-7-17(15-29)24(30)26-21-14-18(25)9-11-22(21)31-2/h3-4,6,8-12,14,17H,5,7,13,15H2,1-2H3,(H,26,30)
• InChIKey: HXPVHBFUZXIZIE-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121070721) is N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCCN(c2ccc(-c3ccccc3C)nn2)C1.

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

The InChIKey is HXPVHBFUZXIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16-6-3-4-8-19(16)20-10-12-23(28-27-20)29-13-5-7-17(15-29)24(30)26-21-14-18(25)9-11-22(21)31-2/h3-4,6,8-12,14,17H,5,7,13,15H2,1-2H3,(H,26,30).

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

N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121070721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).