6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C22H33N5O — CID 56749613

About 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 56749613) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 56749613
• Molecular Formula: C22H33N5O
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.27
• IUPAC Name: 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
• SMILES: CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC(C)(C)CC2)nc1
• InChI: InChI=1S/C22H33N5O/c1-17(2)20-23-11-15-27(20)12-5-10-24-21(28)18-6-7-19(25-16-18)26-13-8-22(3,4)9-14-26/h6-7,11,15-17H,5,8-10,12-14H2,1-4H3,(H,24,28)
• InChIKey: BYYFVPGDTQFBOA-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 56749613) is 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC(C)(C)CC2)nc1.

What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The InChIKey is BYYFVPGDTQFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17(2)20-23-11-15-27(20)12-5-10-24-21(28)18-6-7-19(25-16-18)26-13-8-22(3,4)9-14-26/h6-7,11,15-17H,5,8-10,12-14H2,1-4H3,(H,24,28).

What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56749613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).