5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium

C63H69N6+3 — CID 157439075

About 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium

5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium (PubChem CID 157439075) has the molecular formula C63H69N6+3 and a molecular weight of 910.29 g/mol. Its IUPAC name is 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium
• PubChem CID: 157439075
• Molecular Formula: C63H69N6+3
• Molecular Weight: 910.29 g/mol
• Exact Mass: 909.56
• IUPAC Name: 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium
• SMILES: CCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cn1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)nc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)nc2)c[n+]1C
• InChI: InChI=1S/C22H25N2.C21H23N2.C20H21N2/c1-16(2)13-20-11-9-18(14-23-20)19-10-12-22(24(4)15-19)21-8-6-5-7-17(21)3;1-15(2)20-11-9-17(13-22-20)18-10-12-21(23(4)14-18)19-8-6-5-7-16(19)3;1-4-18-11-9-16(13-21-18)17-10-12-20(22(3)14-17)19-8-6-5-7-15(19)2/h5-12,14-16H,13H2,1-4H3;5-15H,1-4H3;5-14H,4H2,1-3H3/q3*+1
• InChIKey: QYNRQFLUKNRUID-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 50.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.29
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium?

The IUPAC name of 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium (CID 157439075) is 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium.

What is the SMILES notation for 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium?

The canonical SMILES for 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium is CCc1ccc(-c2ccc(-c3ccccc3C)[n+](C)c2)cn1.Cc1ccccc1-c1ccc(-c2ccc(C(C)C)nc2)c[n+]1C.Cc1ccccc1-c1ccc(-c2ccc(CC(C)C)nc2)c[n+]1C.

What is the InChIKey of 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium?

The InChIKey is QYNRQFLUKNRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2.C21H23N2.C20H21N2/c1-16(2)13-20-11-9-18(14-23-20)19-10-12-22(24(4)15-19)21-8-6-5-7-17(21)3;1-15(2)20-11-9-17(13-22-20)18-10-12-21(23(4)14-18)19-8-6-5-7-16(19)3;1-4-18-11-9-16(13-21-18)17-10-12-20(22(3)14-17)19-8-6-5-7-15(19)2/h5-12,14-16H,13H2,1-4H3;5-15H,1-4H3;5-14H,4H2,1-3H3/q3*+1.

What are the key properties of 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium?

5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium has a molecular weight of 910.29 g/mol, XLogP of 13.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethyl-3-pyridinyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[6-(2-methylpropyl)-3-pyridinyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(6-propan-2-yl-3-pyridinyl)pyridin-1-ium is sourced from PubChem (CID 157439075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).