N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium

C40H36N8O3Ru — CID 58600076

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(CCCc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H20N4O3.2C10H8N2.Ru/c25-18(23-12-13-24-19(26)7-8-20(24)27)6-3-4-15-9-11-22-17(14-15)16-5-1-2-10-21-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-2,5,7-11,14H,3-4,6,12-13H2,(H,23,25);2*1-8H;
InChIKeyOYAMVYRRDYJPSE-UHFFFAOYSA-N
MW777.85 g/mol
LogP5.79
Rot. Bonds10

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

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 58600076) has the molecular formula C40H36N8O3Ru and a molecular weight of 777.85 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID58600076
Molecular FormulaC40H36N8O3Ru
Molecular Weight777.85 g/mol
Exact Mass778.20
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESO=C(CCCc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H20N4O3.2C10H8N2.Ru/c25-18(23-12-13-24-19(26)7-8-20(24)27)6-3-4-15-9-11-22-17(14-15)16-5-1-2-10-21-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-2,5,7-11,14H,3-4,6,12-13H2,(H,23,25);2*1-8H;
InChIKeyOYAMVYRRDYJPSE-UHFFFAOYSA-N
XLogP5.79
TPSA143.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.85
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 58600076) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium is O=C(CCCc1ccnc(-c2ccccn2)c1)NCCN1C(=O)C=CC1=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is OYAMVYRRDYJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3.2C10H8N2.Ru/c25-18(23-12-13-24-19(26)7-8-20(24)27)6-3-4-15-9-11-22-17(14-15)16-5-1-2-10-21-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-2,5,7-11,14H,3-4,6,12-13H2,(H,23,25);2*1-8H;.
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 777.85 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-(2-pyridin-2-yl-4-pyridinyl)butanamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 58600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).