2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide

C16H19N2O+ — CID 8876238

IUPAC2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[n+]1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-13(2)17-16(19)12-18-10-6-9-15(11-18)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3/p+1
InChIKeyYNQKFJXGMJHZNJ-UHFFFAOYSA-O
MW255.34 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide

2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide (PubChem CID 8876238) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
PubChem CID8876238
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[n+]1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-13(2)17-16(19)12-18-10-6-9-15(11-18)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3/p+1
InChIKeyYNQKFJXGMJHZNJ-UHFFFAOYSA-O
XLogP2.17
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 ≤ 52.17
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-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
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
[(2R)-3,3-dimethylbutan-2-yl] 2-(3-phenylpyridin-1-ium-1-yl)acetate
CID 140815406
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
2-(3-hydroxypyridin-1-ium-1-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8751158
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 155615363
N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8773444
2-[4-[1-[3-[4-[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 15850276
N-[(2S)-butan-2-yl]-2-isoquinolin-2-ium-2-ylacetamide
CID 8828731
ethyl 3-chloro-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 155615590

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide (CID 8876238) is 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)C[n+]1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide?
The InChIKey is YNQKFJXGMJHZNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O/c1-13(2)17-16(19)12-18-10-6-9-15(11-18)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3/p+1.
What are the key properties of 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide?
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide has a molecular weight of 255.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 8876238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).