N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

C39H32N7O3Ru — CID 59639270

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 59639270) has the molecular formula C39H32N7O3Ru and a molecular weight of 747.80 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 59639270
• Molecular Formula: C39H32N7O3Ru
• Molecular Weight: 747.80 g/mol
• Exact Mass: 748.16
• IUPAC Name: N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: O=C(Cc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C18H16N4O3.C11H8N.C10H8N2.Ru/c23-16(21-9-10-22-17(24)4-5-18(22)25)12-13-6-8-20-15(11-13)14-3-1-2-7-19-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8,11H,9-10,12H2,(H,21,23);1-6,8-9H;1-8H;/q;-1;;+1
• InChIKey: AQQMTSDYNYFQLR-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 130.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.80
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 59639270) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is O=C(Cc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is AQQMTSDYNYFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3.C11H8N.C10H8N2.Ru/c23-16(21-9-10-22-17(24)4-5-18(22)25)12-13-6-8-20-15(11-13)14-3-1-2-7-19-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8,11H,9-10,12H2,(H,21,23);1-6,8-9H;1-8H;/q;-1;;+1.

What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 747.80 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 59639270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).