N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

C15H17N2O+ — CID 8826865

IUPACN-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccccc1NC(=O)C[n+]1ccccc1C
InChIInChI=1S/C15H16N2O/c1-12-7-3-4-9-14(12)16-15(18)11-17-10-6-5-8-13(17)2/h3-10H,11H2,1-2H3/p+1
InChIKeyAETXACIDOTZCBZ-UHFFFAOYSA-O
MW241.31 g/mol
LogP2.23
Rot. Bonds3

About N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8826865) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8826865
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccccc1NC(=O)C[n+]1ccccc1C
InChIInChI=1S/C15H16N2O/c1-12-7-3-4-9-14(12)16-15(18)11-17-10-6-5-8-13(17)2/h3-10H,11H2,1-2H3/p+1
InChIKeyAETXACIDOTZCBZ-UHFFFAOYSA-O
XLogP2.23
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 ≤ 52.23
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-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826859
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 19993624
N-[2-[(2R)-butan-2-yl]phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826985
N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826976
N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717579
2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 24844717
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8862566
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8826865) is N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is Cc1ccccc1NC(=O)C[n+]1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is AETXACIDOTZCBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O/c1-12-7-3-4-9-14(12)16-15(18)11-17-10-6-5-8-13(17)2/h3-10H,11H2,1-2H3/p+1.
What are the key properties of N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 241.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8826865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).