2-(4-methylpyridin-1-ium-1-yl)acetamide iodide

C8H11IN2O — CID 2770190

IUPAC2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
SMILESCc1cc[n+](CC(N)=O)cc1.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7-2-4-10(5-3-7)6-8(9)11;/h2-5H,6H2,1H3,(H-,9,11);1H
InChIKeyMLTXYPKMDNAVNW-UHFFFAOYSA-N
MW278.09 g/mol
LogP-3.23
Rot. Bonds2

About 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide

2-(4-methylpyridin-1-ium-1-yl)acetamide iodide (PubChem CID 2770190) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide.

Molecular Properties

Compound Name2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
PubChem CID2770190
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
SMILESCc1cc[n+](CC(N)=O)cc1.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7-2-4-10(5-3-7)6-8(9)11;/h2-5H,6H2,1H3,(H-,9,11);1H
InChIKeyMLTXYPKMDNAVNW-UHFFFAOYSA-N
XLogP-3.23
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 5-3.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpyridin-1-ium-1-yl)propanamide;hydrochloride
CID 126959661
2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
CID 20802846
methyl 2-(4-methylpyridin-1-ium-1-yl)acetate
CID 3097456
1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate
CID 139198210
1-(4-bromophenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide
CID 14913611
2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
2-(4-methylpyridin-1-ium-1-yl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 2874909
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
ethyl 1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxylate;hydroiodide
CID 126957622
N-(4-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827705
ethanol;1-ethyl-4-methylpyridin-1-ium
CID 91117915

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide?
The IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide (CID 2770190) is 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide.
What is the SMILES notation for 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide?
The canonical SMILES for 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide is Cc1cc[n+](CC(N)=O)cc1.[I-].
What is the InChIKey of 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide?
The InChIKey is MLTXYPKMDNAVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.HI/c1-7-2-4-10(5-3-7)6-8(9)11;/h2-5H,6H2,1H3,(H-,9,11);1H.
What are the key properties of 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide?
2-(4-methylpyridin-1-ium-1-yl)acetamide iodide has a molecular weight of 278.09 g/mol, XLogP of -3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyridin-1-ium-1-yl)acetamide iodide is sourced from PubChem (CID 2770190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).