(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide

C16H19N2O+ — CID 8827101

IUPAC(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-6-15(7-5-12)17-16(19)14(3)18-10-8-13(2)9-11-18/h4-11,14H,1-3H3/p+1/t14-/m1/s1
InChIKeyTZHUCBPJVJFYMK-CQSZACIVSA-O
MW255.34 g/mol
LogP2.79
Rot. Bonds3

About (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide

(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8827101) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8827101
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)[n+]2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-6-15(7-5-12)17-16(19)14(3)18-10-8-13(2)9-11-18/h4-11,14H,1-3H3/p+1/t14-/m1/s1
InChIKeyTZHUCBPJVJFYMK-CQSZACIVSA-O
XLogP2.79
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.79
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

(2S)-N-(3-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827056
1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide
CID 8831673
(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827311
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2S)-N-(4-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8877925
(2S)-N-(4-fluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8878012
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8877985
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide (CID 8827101) is (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide is Cc1ccc(NC(=O)[C@@H](C)[n+]2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is TZHUCBPJVJFYMK-CQSZACIVSA-O. The full InChI is InChI=1S/C16H18N2O/c1-12-4-6-15(7-5-12)17-16(19)14(3)18-10-8-13(2)9-11-18/h4-11,14H,1-3H3/p+1/t14-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 255.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8827101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).