6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C27H34N6O3 — CID 67464213

About 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67464213) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
• PubChem CID: 67464213
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
• SMILES: CC1CN(c2ccc(C(N)=O)cn2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
• InChI: InChI=1S/C27H34N6O3/c1-16-15-32(22-6-5-18(14-29-22)25(28)34)7-8-33(16)23-4-2-3-21(30-23)26(35)31-24-19-9-17-10-20(24)13-27(36,11-17)12-19/h2-6,14,16-17,19-20,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35)
• InChIKey: QDZMQKLMVCTLHC-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 124.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67464213) is 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

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

The canonical SMILES for 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is CC1CN(c2ccc(C(N)=O)cn2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1.

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

The InChIKey is QDZMQKLMVCTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-16-15-32(22-6-5-18(14-29-22)25(28)34)7-8-33(16)23-4-2-3-21(30-23)26(35)31-24-19-9-17-10-20(24)13-27(36,11-17)12-19/h2-6,14,16-17,19-20,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35).

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

6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67464213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).