2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide

C17H21N2O+ — CID 8826993

IUPAC2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cccc[n+]1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-15-8-5-6-13-19(15)14-17(20)18-12-7-11-16-9-3-2-4-10-16/h2-6,8-10,13H,7,11-12,14H2,1H3/p+1
InChIKeyQVOXMIKZTYZINO-UHFFFAOYSA-O
MW269.37 g/mol
LogP2.03
Rot. Bonds6

About 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide

2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 8826993) has the molecular formula C17H21N2O+ and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID8826993
Molecular FormulaC17H21N2O+
Molecular Weight269.37 g/mol
Exact Mass269.16
IUPAC Name2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cccc[n+]1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-15-8-5-6-13-19(15)14-17(20)18-12-7-11-16-9-3-2-4-10-16/h2-6,8-10,13H,7,11-12,14H2,1H3/p+1
InChIKeyQVOXMIKZTYZINO-UHFFFAOYSA-O
XLogP2.03
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 8826970
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826865
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
8-phenyloctylcarbamic acid
CID 90271205
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide (CID 8826993) is 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide is Cc1cccc[n+]1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is QVOXMIKZTYZINO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N2O/c1-15-8-5-6-13-19(15)14-17(20)18-12-7-11-16-9-3-2-4-10-16/h2-6,8-10,13H,7,11-12,14H2,1H3/p+1.
What are the key properties of 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide?
2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 8826993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).