2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide

C11H16N2O5 — CID 82063858

IUPAC2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C11H16N2O5/c1-17-3-2-12-11(16)7-18-10-5-13-8(6-14)4-9(10)15/h4-5,14H,2-3,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyWKVDJVVLVJSSQS-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.99
Rot. Bonds7

About 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide

2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide (PubChem CID 82063858) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide
PubChem CID82063858
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C11H16N2O5/c1-17-3-2-12-11(16)7-18-10-5-13-8(6-14)4-9(10)15/h4-5,14H,2-3,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyWKVDJVVLVJSSQS-UHFFFAOYSA-N
XLogP-0.99
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide (CID 82063858) is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is WKVDJVVLVJSSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-17-3-2-12-11(16)7-18-10-5-13-8(6-14)4-9(10)15/h4-5,14H,2-3,6-7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide?
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 256.26 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82063858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).