4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide

C19H25N2O+ — CID 8717688

IUPAC4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC[n+]2ccccc2C)c(C)c1
InChIInChI=1S/C19H24N2O/c1-14-12-15(2)19(16(3)13-14)20-18(22)9-7-11-21-10-6-5-8-17(21)4/h5-6,8,10,12-13H,7,9,11H2,1-4H3/p+1
InChIKeyJCZZIUCYBQXEFF-UHFFFAOYSA-O
MW297.42 g/mol
LogP3.63
Rot. Bonds5

About 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide

4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 8717688) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID8717688
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC[n+]2ccccc2C)c(C)c1
InChIInChI=1S/C19H24N2O/c1-14-12-15(2)19(16(3)13-14)20-18(22)9-7-11-21-10-6-5-8-17(21)4/h5-6,8,10,12-13H,7,9,11H2,1-4H3/p+1
InChIKeyJCZZIUCYBQXEFF-UHFFFAOYSA-O
XLogP3.63
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.63
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

4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
CID 142735482
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(2-methylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 4203223
4-[(3-methylphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 43000863
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
4-(2-methylsulfonylethylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 47068848
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
4-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
CID 31545161
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide (CID 8717688) is 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCC[n+]2ccccc2C)c(C)c1.
What is the InChIKey of 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is JCZZIUCYBQXEFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-14-12-15(2)19(16(3)13-14)20-18(22)9-7-11-21-10-6-5-8-17(21)4/h5-6,8,10,12-13H,7,9,11H2,1-4H3/p+1.
What are the key properties of 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide?
4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 297.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 8717688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).