2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

C12H18N2O5 — CID 16853213

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OC)c(=O)cc1CO
InChIInChI=1S/C12H18N2O5/c1-18-4-3-13-12(17)7-14-6-11(19-2)10(16)5-9(14)8-15/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyOCEGFHWFTPHAQJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.89
Rot. Bonds7

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (PubChem CID 16853213) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
PubChem CID16853213
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OC)c(=O)cc1CO
InChIInChI=1S/C12H18N2O5/c1-18-4-3-13-12(17)7-14-6-11(19-2)10(16)5-9(14)8-15/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,17)
InChIKeyOCEGFHWFTPHAQJ-UHFFFAOYSA-N
XLogP-0.89
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-5-methoxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4(1H)-pyridinone
CID 16853128
N-cyclohexyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853183
N-cyclooctyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 71705754
2-(Hydroxymethyl)-5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-4-one
CID 16853131
3-hydroxy-N-(2-methoxyethyl)-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 54723864
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
CID 130410728
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide
CID 130410729
1-amino-3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 132123946
N-isopropyl-2-(5-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852176
2-[2-(Hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853138
N-cyclopentyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853182
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16853189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (CID 16853213) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(OC)c(=O)cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OCEGFHWFTPHAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-18-4-3-13-12(17)7-14-6-11(19-2)10(16)5-9(14)8-15/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,17).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 270.28 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16853213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).