chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

C52H64ClN9O3Os+ — CID 58544412

About chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 58544412) has the molecular formula C52H64ClN9O3Os+ and a molecular weight of 1088.83 g/mol. Its IUPAC name is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

• Compound Name: chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
• PubChem CID: 58544412
• Molecular Formula: C52H64ClN9O3Os+
• Molecular Weight: 1088.83 g/mol
• Exact Mass: 1089.44
• IUPAC Name: chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
• SMILES: CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os]
• InChI: InChI=1S/C28H39N5O.C12H12N2O2.C12H12N2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;1H;/q;;;;+1
• InChIKey: VMLJGTOKNKPZIL-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 133.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.83
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?

The IUPAC name of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 58544412) is chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

What is the SMILES notation for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?

The canonical SMILES for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is CCC(CC(C)c1cc[n+](CCCCCC(=O)NCCCn2ccnc2)cc1)c1ccncc1.COc1ccnc(-c2cc(OC)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].

What is the InChIKey of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?

The InChIKey is VMLJGTOKNKPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O.C12H12N2O2.C12H12N2.ClH.Os/c1-3-25(27-9-14-29-15-10-27)22-24(2)26-11-19-32(20-12-26)17-6-4-5-8-28(34)31-13-7-18-33-21-16-30-23-33;1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;/h9-12,14-16,19-21,23-25H,3-8,13,17-18,22H2,1-2H3;3-8H,1-2H3;3-8H,1-2H3;1H;/q;;;;+1.

What are the key properties of chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?

chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 1088.83 g/mol, XLogP of 10.63, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 58544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).