azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate

C21H23Cl2FeN6O10+2 — CID 11635986

About azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate

azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate (PubChem CID 11635986) has the molecular formula C21H23Cl2FeN6O10+2 and a molecular weight of 646.20 g/mol. Its IUPAC name is azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate.

Molecular Properties

• Compound Name: azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate
• PubChem CID: 11635986
• Molecular Formula: C21H23Cl2FeN6O10+2
• Molecular Weight: 646.20 g/mol
• Exact Mass: 645.02
• IUPAC Name: azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate
• SMILES: CC(NC(=O)CN(Cc1ccccn1)Cc1ccccn1)c1ccccn1.N#[O+].[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C21H23N5O.2ClHO4.Fe.NO/c1-17(20-10-4-7-13-24-20)25-21(27)16-26(14-18-8-2-5-11-22-18)15-19-9-3-6-12-23-19;2*2-1(3,4)5;;1-2/h2-13,17H,14-16H2,1H3,(H,25,27);2*(H,2,3,4,5);;/q;;;+3;+1/p-2
• InChIKey: KGWSRYFXMAVWQX-UHFFFAOYSA-L
• XLogP: -6.87
• TPSA: 299.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.20
LogP ≤ 5	-6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate?

The IUPAC name of azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate (CID 11635986) is azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate.

What is the SMILES notation for azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate?

The canonical SMILES for azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate is CC(NC(=O)CN(Cc1ccccn1)Cc1ccccn1)c1ccccn1.N#[O+].[Fe+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate?

The InChIKey is KGWSRYFXMAVWQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H23N5O.2ClHO4.Fe.NO/c1-17(20-10-4-7-13-24-20)25-21(27)16-26(14-18-8-2-5-11-22-18)15-19-9-3-6-12-23-19;2*2-1(3,4)5;;1-2/h2-13,17H,14-16H2,1H3,(H,25,27);2*(H,2,3,4,5);;/q;;;+3;+1/p-2.

What are the key properties of azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate?

azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate has a molecular weight of 646.20 g/mol, XLogP of -6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for azanylidyneoxidanium;2-[bis(pyridin-2-ylmethyl)amino]-N-(1-pyridin-2-ylethyl)acetamide;iron(3+);diperchlorate is sourced from PubChem (CID 11635986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).