N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

C21H21N2O+ — CID 8876602

IUPACN-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C21H20N2O/c1-16-10-11-20(17(2)13-16)22-21(24)15-23-12-6-9-19(14-23)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3/p+1
InChIKeyAJQFVIAQRWKIES-UHFFFAOYSA-O
MW317.41 g/mol
LogP3.90
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 8876602) has the molecular formula C21H21N2O+ and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID8876602
Molecular FormulaC21H21N2O+
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c(C)c1
InChIInChI=1S/C21H20N2O/c1-16-10-11-20(17(2)13-16)22-21(24)15-23-12-6-9-19(14-23)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3/p+1
InChIKeyAJQFVIAQRWKIES-UHFFFAOYSA-O
XLogP3.90
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876109
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-(2,4-dimethylphenyl)-2-phthalazin-2-ium-2-ylacetamide;hydroiodide
CID 126956972
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876596

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 8876602) is N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is Cc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is AJQFVIAQRWKIES-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20N2O/c1-16-10-11-20(17(2)13-16)22-21(24)15-23-12-6-9-19(14-23)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3/p+1.
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8876602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).