2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide

C14H22N3O2+ — CID 8857432

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCc1cc[n+](CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-12-5-7-17(8-6-12)10-13(18)16-14(19)15-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H-,15,16,18,19)/p+1
InChIKeyYBMVAKGFOTVICQ-UHFFFAOYSA-O
MW264.35 g/mol
LogP1.02
Rot. Bonds5

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8857432) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8857432
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCc1cc[n+](CC(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-4-12-5-7-17(8-6-12)10-13(18)16-14(19)15-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H-,15,16,18,19)/p+1
InChIKeyYBMVAKGFOTVICQ-UHFFFAOYSA-O
XLogP1.02
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
CID 8856962
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8864731
2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8878002
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
CID 154175868
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610291
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
2-benzylsulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2647854
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985884

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide (CID 8857432) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide is CCc1cc[n+](CC(=O)NC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is YBMVAKGFOTVICQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-4-12-5-7-17(8-6-12)10-13(18)16-14(19)15-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H-,15,16,18,19)/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8857432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).