4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine

C25H41N2+ — CID 90022724

IUPAC4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine
SMILESCCCCCCCCCCCCCC[N+]1(C)C=CC(c2ccncc2)=CC1
InChIInChI=1S/C25H41N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-27(2)22-17-25(18-23-27)24-15-19-26-20-16-24/h15-20,22H,3-14,21,23H2,1-2H3/q+1
InChIKeySVGKJWQEHAFMTI-UHFFFAOYSA-N
MW369.62 g/mol
LogP7.14
Rot. Bonds14

About 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine

4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine (PubChem CID 90022724) has the molecular formula C25H41N2+ and a molecular weight of 369.62 g/mol. Its IUPAC name is 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine.

Molecular Properties

Compound Name4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine
PubChem CID90022724
Molecular FormulaC25H41N2+
Molecular Weight369.62 g/mol
Exact Mass369.33
IUPAC Name4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine
SMILESCCCCCCCCCCCCCC[N+]1(C)C=CC(c2ccncc2)=CC1
InChIInChI=1S/C25H41N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-27(2)22-17-25(18-23-27)24-15-19-26-20-16-24/h15-20,22H,3-14,21,23H2,1-2H3/q+1
InChIKeySVGKJWQEHAFMTI-UHFFFAOYSA-N
XLogP7.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine?
The IUPAC name of 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine (CID 90022724) is 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine.
What is the SMILES notation for 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine?
The canonical SMILES for 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine is CCCCCCCCCCCCCC[N+]1(C)C=CC(c2ccncc2)=CC1.
What is the InChIKey of 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine?
The InChIKey is SVGKJWQEHAFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-27(2)22-17-25(18-23-27)24-15-19-26-20-16-24/h15-20,22H,3-14,21,23H2,1-2H3/q+1.
What are the key properties of 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine?
4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine has a molecular weight of 369.62 g/mol, XLogP of 7.14, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1-tetradecyl-2H-pyridin-1-ium-4-yl)pyridine is sourced from PubChem (CID 90022724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).