(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C24H25BrN4O — CID 93055955

About (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 93055955) has the molecular formula C24H25BrN4O and a molecular weight of 465.40 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 93055955
• Molecular Formula: C24H25BrN4O
• Molecular Weight: 465.40 g/mol
• Exact Mass: 464.12
• IUPAC Name: (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
• SMILES: Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)nn2)c1
• InChI: InChI=1S/C24H25BrN4O/c1-16-5-3-6-18(13-16)22-10-11-23(28-27-22)29-12-4-7-19(15-29)24(30)26-20-8-9-21(25)17(2)14-20/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,26,30)/t19-/m1/s1
• InChIKey: LACDHHWJXYWVCH-LJQANCHMSA-N
• XLogP: 5.38
• 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	465.40
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 93055955) is (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)nn2)c1.

What is the InChIKey of (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is LACDHHWJXYWVCH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25BrN4O/c1-16-5-3-6-18(13-16)22-10-11-23(28-27-22)29-12-4-7-19(15-29)24(30)26-20-8-9-21(25)17(2)14-20/h3,5-6,8-11,13-14,19H,4,7,12,15H2,1-2H3,(H,26,30)/t19-/m1/s1.

What are the key properties of (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?

(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 465.40 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 93055955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).