N-(1-benzylpyridin-1-ium-4-yl)acetamide

C14H15N2O+ — CID 21235965

IUPACN-(1-benzylpyridin-1-ium-4-yl)acetamide
SMILESCC(=O)Nc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1
InChIKeyNPRBWOXUAXTJTN-UHFFFAOYSA-O
MW227.29 g/mol
LogP1.98
Rot. Bonds3

About N-(1-benzylpyridin-1-ium-4-yl)acetamide

N-(1-benzylpyridin-1-ium-4-yl)acetamide (PubChem CID 21235965) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(1-benzylpyridin-1-ium-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyridin-1-ium-4-yl)acetamide
PubChem CID21235965
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC NameN-(1-benzylpyridin-1-ium-4-yl)acetamide
SMILESCC(=O)Nc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1
InChIKeyNPRBWOXUAXTJTN-UHFFFAOYSA-O
XLogP1.98
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.98
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-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
CID 162652521
2-N,6-N-bis(1-benzylpyridin-1-ium-4-yl)pyridine-2,6-dicarboxamide
CID 135336241
N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
CID 162659038
N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
N-(1-benzylpyridin-1-ium-4-yl)-2-oxo-2-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]acetamide
CID 20669770
N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide
CID 59112769
cobalt;N-phenylacetamide
CID 158689050
N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
CID 110194367
1-benzylpyridin-1-ium;ethane
CID 90840399
1-(1-benzylpyridin-1-ium-4-yl)-2-phenylethanone
CID 54274280
[(1S)-1-(1-benzylpyridin-1-ium-4-yl)ethyl] acetate bromide
CID 11416414
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)acetamide?
The IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)acetamide (CID 21235965) is N-(1-benzylpyridin-1-ium-4-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyridin-1-ium-4-yl)acetamide?
The canonical SMILES for N-(1-benzylpyridin-1-ium-4-yl)acetamide is CC(=O)Nc1cc[n+](Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylpyridin-1-ium-4-yl)acetamide?
The InChIKey is NPRBWOXUAXTJTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1.
What are the key properties of N-(1-benzylpyridin-1-ium-4-yl)acetamide?
N-(1-benzylpyridin-1-ium-4-yl)acetamide has a molecular weight of 227.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyridin-1-ium-4-yl)acetamide is sourced from PubChem (CID 21235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).