N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride

C15H18ClN2O+ — CID 126958731

IUPACN-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C[n+]1ccccc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-12-7-6-8-13(2)15(12)16-14(18)11-17-9-4-3-5-10-17;/h3-10H,11H2,1-2H3;1H/p+1
InChIKeyOJCYCQZJQFAKEP-UHFFFAOYSA-O
MW277.78 g/mol
LogP2.65
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride

N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride (PubChem CID 126958731) has the molecular formula C15H18ClN2O+ and a molecular weight of 277.78 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
PubChem CID126958731
Molecular FormulaC15H18ClN2O+
Molecular Weight277.78 g/mol
Exact Mass277.11
IUPAC NameN-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C[n+]1ccccc1.Cl
InChIInChI=1S/C15H16N2O.ClH/c1-12-7-6-8-13(2)15(12)16-14(18)11-17-9-4-3-5-10-17;/h3-10H,11H2,1-2H3;1H/p+1
InChIKeyOJCYCQZJQFAKEP-UHFFFAOYSA-O
XLogP2.65
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 52.65
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

N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
N-(2,6-dimethylphenyl)-2-[3-(dimethylsulfamoyl)pyridin-1-ium-1-yl]acetamide
CID 155615257
(3S)-N-(2,6-dimethylphenyl)-3-pyridin-1-ium-1-ylbutanamide bromide
CID 155102869
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
4-(2,6-dimethylanilino)-2-methylidene-4-oxobutanoic acid
CID 14449100
N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane
CID 155692493
N-(2,6-dimethylphenyl)-2-(3-methyl-2-propylpyrazol-1-ium-1-yl)acetamide
CID 155692487
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride (CID 126958731) is N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride is Cc1cccc(C)c1NC(=O)C[n+]1ccccc1.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The InChIKey is OJCYCQZJQFAKEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O.ClH/c1-12-7-6-8-13(2)15(12)16-14(18)11-17-9-4-3-5-10-17;/h3-10H,11H2,1-2H3;1H/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride is sourced from PubChem (CID 126958731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).