6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C30H41N5O2 — CID 67468039

About 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67468039) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
• PubChem CID: 67468039
• Molecular Formula: C30H41N5O2
• Molecular Weight: 503.69 g/mol
• Exact Mass: 503.33
• IUPAC Name: 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
• SMILES: C[C@@H]1CN(c2ccc(C(C)(C)N)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
• InChI: InChI=1S/C30H41N5O2/c1-19-18-34(24-9-7-23(8-10-24)29(2,3)31)11-12-35(19)26-6-4-5-25(32-26)28(36)33-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,37H,11-18,31H2,1-3H3,(H,33,36)/t19-,20?,21?,22?,27?,30?/m1/s1
• InChIKey: HWBWFDGYBNYGSP-OUGCDNELSA-N
• XLogP: 3.66
• TPSA: 94.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.69
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?

The IUPAC name of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67468039) is 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?

The canonical SMILES for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is C[C@@H]1CN(c2ccc(C(C)(C)N)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1.

What is the InChIKey of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?

The InChIKey is HWBWFDGYBNYGSP-OUGCDNELSA-N. The full InChI is InChI=1S/C30H41N5O2/c1-19-18-34(24-9-7-23(8-10-24)29(2,3)31)11-12-35(19)26-6-4-5-25(32-26)28(36)33-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,37H,11-18,31H2,1-3H3,(H,33,36)/t19-,20?,21?,22?,27?,30?/m1/s1.

What are the key properties of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?

6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 503.69 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).