N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium

C43H49N9O2Ru — CID 59758651

About N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium

N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59758651) has the molecular formula C43H49N9O2Ru and a molecular weight of 825.00 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

• Compound Name: N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium
• PubChem CID: 59758651
• Molecular Formula: C43H49N9O2Ru
• Molecular Weight: 825.00 g/mol
• Exact Mass: 825.31
• IUPAC Name: N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium
• SMILES: Cc1ccnc(-c2cc(CCCCNC(=O)CCCC(=O)NCCCN)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C23H33N5O2.2C10H8N2.Ru/c1-18-9-14-25-20(16-18)21-17-19(10-15-26-21)6-2-3-12-27-22(29)7-4-8-23(30)28-13-5-11-24;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h9-10,14-17H,2-8,11-13,24H2,1H3,(H,27,29)(H,28,30);2*1-8H
• InChIKey: AXVZXWSTNZWZPW-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 161.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.00
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium?

The IUPAC name of N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59758651) is N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium.

What is the SMILES notation for N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium?

The canonical SMILES for N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium is Cc1ccnc(-c2cc(CCCCNC(=O)CCCC(=O)NCCCN)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium?

The InChIKey is AXVZXWSTNZWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.2C10H8N2.Ru/c1-18-9-14-25-20(16-18)21-17-19(10-15-26-21)6-2-3-12-27-22(29)7-4-8-23(30)28-13-5-11-24;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h9-10,14-17H,2-8,11-13,24H2,1H3,(H,27,29)(H,28,30);2*1-8H;.

What are the key properties of N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium?

N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 825.00 g/mol, XLogP of 6.81, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3-aminopropyl)-N-[4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butyl]pentanediamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59758651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).