2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide

C16H19N2O+ — CID 8826970

IUPAC2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1cccc[n+]1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-13-8-6-7-11-18(13)12-16(19)17-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyGJMQXUFCCKNZKB-CQSZACIVSA-O
MW255.34 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide

2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 8826970) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID8826970
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1cccc[n+]1CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-13-8-6-7-11-18(13)12-16(19)17-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyGJMQXUFCCKNZKB-CQSZACIVSA-O
XLogP2.16
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 ≤ 52.16
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-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
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
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
3-[4-[1-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 102572989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 8826970) is 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide is Cc1cccc[n+]1CC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is GJMQXUFCCKNZKB-CQSZACIVSA-O. The full InChI is InChI=1S/C16H18N2O/c1-13-8-6-7-11-18(13)12-16(19)17-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of 2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(2-methylpyridin-1-ium-1-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 2.16, 4 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-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 8826970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).