2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide

C16H19N2O+ — CID 8857721

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-14-8-10-18(11-9-14)12-16(19)17-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3/p+1
InChIKeyHZYIZJLMRZGESS-UHFFFAOYSA-O
MW255.34 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 8857721) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID8857721
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-14-8-10-18(11-9-14)12-16(19)17-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3/p+1
InChIKeyHZYIZJLMRZGESS-UHFFFAOYSA-O
XLogP2.48
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide 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

2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827705
N-(4-iodophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877644
N-(4-ethoxyphenyl)-4-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzamide
CID 8856674
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8857827
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827490
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
butyl 4-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 8877385
N-(4-phenyldiazenylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877264
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8857926

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide (CID 8857721) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide is CCc1cc[n+](CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is HZYIZJLMRZGESS-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O/c1-3-14-8-10-18(11-9-14)12-16(19)17-15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8857721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).