N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C50H57N7ORu+2 — CID 5288115

About N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 5288115) has the molecular formula C50H57N7ORu+2 and a molecular weight of 873.12 g/mol. Its IUPAC name is N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

• Compound Name: N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• PubChem CID: 5288115
• Molecular Formula: C50H57N7ORu+2
• Molecular Weight: 873.12 g/mol
• Exact Mass: 873.37
• IUPAC Name: N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
• SMILES: Cc1ccnc(-c2cc(CCCCCCCCC(=O)NC3C4CC5CC(C4)CC3C5)ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q;;;+2
• InChIKey: IUFZXUWKBAFHSR-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 106.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.12
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The IUPAC name of N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 5288115) is N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

What is the SMILES notation for N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The canonical SMILES for N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is Cc1ccnc(-c2cc(CCCCCCCCC(=O)NC3C4CC5CC(C4)CC3C5)ccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

The InChIKey is IUFZXUWKBAFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h10-14,20,23-26,30H,2-9,15-19H2,1H3,(H,33,34);2*1-8H;/q;;;+2.

What are the key properties of N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?

N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 873.12 g/mol, XLogP of 10.95, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-adamantyl)-9-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]nonanamide;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 5288115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).