N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide

C24H21BrN2O2 — CID 162649707

IUPACN-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-]
InChIInChI=1S/C24H20N2O2.BrH/c1-28-23-10-9-19-15-21(8-7-20(19)16-23)24(27)25-22-11-13-26(14-12-22)17-18-5-3-2-4-6-18;/h2-16H,17H2,1H3;1H
InChIKeyRUVVGSCVBQMZTD-UHFFFAOYSA-N
MW449.35 g/mol
LogP1.44
Rot. Bonds5

About N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide

N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide (PubChem CID 162649707) has the molecular formula C24H21BrN2O2 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide.

Molecular Properties

Compound NameN-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide
PubChem CID162649707
Molecular FormulaC24H21BrN2O2
Molecular Weight449.35 g/mol
Exact Mass448.08
IUPAC NameN-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-]
InChIInChI=1S/C24H20N2O2.BrH/c1-28-23-10-9-19-15-21(8-7-20(19)16-23)24(27)25-22-11-13-26(14-12-22)17-18-5-3-2-4-6-18;/h2-16H,17H2,1H3;1H
InChIKeyRUVVGSCVBQMZTD-UHFFFAOYSA-N
XLogP1.44
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide?
The IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide (CID 162649707) is N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide.
What is the SMILES notation for N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide?
The canonical SMILES for N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide is COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccccc4)cc3)ccc2c1.[Br-].
What is the InChIKey of N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide?
The InChIKey is RUVVGSCVBQMZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2.BrH/c1-28-23-10-9-19-15-21(8-7-20(19)16-23)24(27)25-22-11-13-26(14-12-22)17-18-5-3-2-4-6-18;/h2-16H,17H2,1H3;1H.
What are the key properties of N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide?
N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide has a molecular weight of 449.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyridin-1-ium-4-yl)-6-methoxynaphthalene-2-carboxamide bromide is sourced from PubChem (CID 162649707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).