2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide

C9H13N2O2+ — CID 20802846

IUPAC2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
SMILESCC(O)c1cc[n+](CC(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-7(12)8-2-4-11(5-3-8)6-9(10)13/h2-5,7,12H,6H2,1H3,(H-,10,13)/p+1
InChIKeyDNILFPILUWXVOG-UHFFFAOYSA-O
MW181.21 g/mol
LogP-0.49
Rot. Bonds3

About 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide

2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide (PubChem CID 20802846) has the molecular formula C9H13N2O2+ and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
PubChem CID20802846
Molecular FormulaC9H13N2O2+
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
SMILESCC(O)c1cc[n+](CC(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-7(12)8-2-4-11(5-3-8)6-9(10)13/h2-5,7,12H,6H2,1H3,(H-,10,13)/p+1
InChIKeyDNILFPILUWXVOG-UHFFFAOYSA-O
XLogP-0.49
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.49
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

2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
CID 2770190
1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol
CID 20802811
1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate
CID 139198210
4-(1-hydroxyethyl)benzamide
CID 22716490
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168
[2-(carbamoylamino)-1,2-bis(1-ethylpyridin-1-ium-4-yl)ethyl]urea
CID 53310235
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
2-[5-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetamide
CID 87959245
1-(2-amino-2-oxoethyl)-N-benzylpyridin-1-ium-4-carboxamide chloride
CID 146051594
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide (CID 20802846) is 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide is CC(O)c1cc[n+](CC(N)=O)cc1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide?
The InChIKey is DNILFPILUWXVOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)8-2-4-11(5-3-8)6-9(10)13/h2-5,7,12H,6H2,1H3,(H-,10,13)/p+1.
What are the key properties of 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide?
2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide has a molecular weight of 181.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide is sourced from PubChem (CID 20802846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).