5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium

C19H26N+ — CID 176583827

IUPAC5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILES[2H]c1c[n+](C)c(-c2ccccc2C)cc1C(C)(CC)CC
InChIInChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-20(5)18(14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1/i12D
InChIKeyFYOJDQUJURNDMJ-UQBWLURTSA-N
MW269.43 g/mol
LogP4.56
Rot. Bonds4

About 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium

5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 176583827) has the molecular formula C19H26N+ and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
PubChem CID176583827
Molecular FormulaC19H26N+
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILES[2H]c1c[n+](C)c(-c2ccccc2C)cc1C(C)(CC)CC
InChIInChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-20(5)18(14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1/i12D
InChIKeyFYOJDQUJURNDMJ-UQBWLURTSA-N
XLogP4.56
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)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-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164777910
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
2-deuterio-4-(3-ethylpentan-3-yl)-1-methyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 164777913
1-methyl-2-(3-methylpentan-3-yl)-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 164777922
2-(5-benzo[b][1]benzoborol-5-yl-2-methylphenyl)-4-tert-butyl-1-methylpyridin-1-ium
CID 170537769
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;1,4-dimethyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(3-methylpentan-3-yl)pyridin-1-ium;1-methyl-5-(3-methylpentan-3-yl)-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 158342319
2-deuterio-1-methyl-6-(2-methylphenyl)-3,4-bis(trideuteriomethyl)pyridin-1-ium
CID 153464912
2,4,5-trideuterio-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1-methyl-6-(2-methylphenyl)pyridin-1-ium
CID 169015479
5-ethyl-1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium
CID 164823798

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium (CID 176583827) is 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium is [2H]c1c[n+](C)c(-c2ccccc2C)cc1C(C)(CC)CC.
What is the InChIKey of 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is FYOJDQUJURNDMJ-UQBWLURTSA-N. The full InChI is InChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-20(5)18(14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1/i12D.
What are the key properties of 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 269.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 176583827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).