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

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
SMILESO=C(Cc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=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
InChIKeyAQQMTSDYNYFQLR-UHFFFAOYSA-N
MW747.80 g/mol
LogP5.42
Rot. Bonds8

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 NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
PubChem CID59639270
Molecular FormulaC39H32N7O3Ru
Molecular Weight747.80 g/mol
Exact Mass748.16
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(2-pyridin-2-yl-4-pyridinyl)acetamide;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
SMILESO=C(Cc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=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
InChIKeyAQQMTSDYNYFQLR-UHFFFAOYSA-N
XLogP5.42
TPSA130.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.80
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).