(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C20H21FN6O — CID 52907702

About (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52907702) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
• PubChem CID: 52907702
• Molecular Formula: C20H21FN6O
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.18
• IUPAC Name: (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1F
• InChI: InChI=1S/C20H21FN6O/c1-14-4-5-16(11-17(14)21)23-20(28)15-3-2-9-26(12-15)18-6-7-19(25-24-18)27-10-8-22-13-27/h4-8,10-11,13,15H,2-3,9,12H2,1H3,(H,23,28)/t15-/m1/s1
• InChIKey: METUCIJUTLEXHY-OAHLLOKOSA-N
• XLogP: 2.96
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52907702) is (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)cc1F.

What is the InChIKey of (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?

The InChIKey is METUCIJUTLEXHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-4-5-16(11-17(14)21)23-20(28)15-3-2-9-26(12-15)18-6-7-19(25-24-18)27-10-8-22-13-27/h4-8,10-11,13,15H,2-3,9,12H2,1H3,(H,23,28)/t15-/m1/s1.

What are the key properties of (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?

(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52907702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).