(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide

C15H17N2O+ — CID 8717742

IUPAC(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide
SMILESCc1cccc[n+]1[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O/c1-12-8-6-7-11-17(12)13(2)15(18)16-14-9-4-3-5-10-14/h3-11,13H,1-2H3/p+1/t13-/m1/s1
InChIKeyRUJAAYPRUSOBCW-CYBMUJFWSA-O
MW241.31 g/mol
LogP2.48
Rot. Bonds3

About (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide

(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide (PubChem CID 8717742) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide
PubChem CID8717742
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide
SMILESCc1cccc[n+]1[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O/c1-12-8-6-7-11-17(12)13(2)15(18)16-14-9-4-3-5-10-14/h3-11,13H,1-2H3/p+1/t13-/m1/s1
InChIKeyRUJAAYPRUSOBCW-CYBMUJFWSA-O
XLogP2.48
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717756
(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 8717770
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717715
(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717738
(2R)-N-(9-ethylcarbazol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717773
(2R)-N-(4-acetamidophenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanamide
CID 8827742
(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-ethylphenyl)propanamide
CID 8827760
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8830820
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8877985
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The IUPAC name of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide (CID 8717742) is (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide is Cc1cccc[n+]1[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide?
The InChIKey is RUJAAYPRUSOBCW-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H16N2O/c1-12-8-6-7-11-17(12)13(2)15(18)16-14-9-4-3-5-10-14/h3-11,13H,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide?
(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide has a molecular weight of 241.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 8717742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).