4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

C20H24N3O+3 — CID 169313124

IUPAC4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
SMILESCOCc1cc(-c2cccc[n+]2C)[n+](C)c(-c2cccc[n+]2C)c1
InChIInChI=1S/C20H24N3O/c1-21-11-7-5-9-17(21)19-13-16(15-24-4)14-20(23(19)3)18-10-6-8-12-22(18)2/h5-14H,15H2,1-4H3/q+3
InChIKeyGCWSBRCJCYQNBF-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.64
Rot. Bonds4

About 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium

4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (PubChem CID 169313124) has the molecular formula C20H24N3O+3 and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
PubChem CID169313124
Molecular FormulaC20H24N3O+3
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Name4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
SMILESCOCc1cc(-c2cccc[n+]2C)[n+](C)c(-c2cccc[n+]2C)c1
InChIInChI=1S/C20H24N3O/c1-21-11-7-5-9-17(21)19-13-16(15-24-4)14-20(23(19)3)18-10-6-8-12-22(18)2/h5-14H,15H2,1-4H3/q+3
InChIKeyGCWSBRCJCYQNBF-UHFFFAOYSA-N
XLogP1.64
TPSA20.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium
CID 91247479
lithium;hydride;methoxymethylbenzene
CID 174456658
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
6-ethyl-3-methyl-2-(1-methylpyridin-1-ium-2-yl)-1,3-benzoxazol-3-ium
CID 170528385
ethane;methoxymethylbenzene;propane
CID 144561349
1-ethyl-3-(1-methylpyridin-1-ium-2-yl)isoquinoline iodide
CID 13384159
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
formaldehyde;methoxymethylbenzene;tungsten
CID 173357343

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The IUPAC name of 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium (CID 169313124) is 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium.
What is the SMILES notation for 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The canonical SMILES for 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is COCc1cc(-c2cccc[n+]2C)[n+](C)c(-c2cccc[n+]2C)c1.
What is the InChIKey of 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
The InChIKey is GCWSBRCJCYQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3O/c1-21-11-7-5-9-17(21)19-13-16(15-24-4)14-20(23(19)3)18-10-6-8-12-22(18)2/h5-14H,15H2,1-4H3/q+3.
What are the key properties of 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium?
4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium has a molecular weight of 322.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium is sourced from PubChem (CID 169313124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).