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

C20H19N2O+ — CID 8876537

IUPACN-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O/c1-16-9-11-19(12-10-16)21-20(23)15-22-13-5-8-18(14-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3/p+1
InChIKeySYACXCITUNDHCE-UHFFFAOYSA-O
MW303.39 g/mol
LogP3.59
Rot. Bonds4

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

N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 8876537) has the molecular formula C20H19N2O+ and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID8876537
Molecular FormulaC20H19N2O+
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC NameN-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O/c1-16-9-11-19(12-10-16)21-20(23)15-22-13-5-8-18(14-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3/p+1
InChIKeySYACXCITUNDHCE-UHFFFAOYSA-O
XLogP3.59
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.59
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

N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876596
N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
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-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 8876537) is N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is Cc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is SYACXCITUNDHCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O/c1-16-9-11-19(12-10-16)21-20(23)15-22-13-5-8-18(14-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3/p+1.
What are the key properties of N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8876537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).