2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide

C13H20N2O5 — CID 56763615

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(OC)c(=O)cc1CO
InChIInChI=1S/C13H20N2O5/c1-19-5-3-4-14-13(18)8-15-7-12(20-2)11(17)6-10(15)9-16/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyUUVFFXMUQJSJPW-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.50
Rot. Bonds8

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide (PubChem CID 56763615) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
PubChem CID56763615
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cc(OC)c(=O)cc1CO
InChIInChI=1S/C13H20N2O5/c1-19-5-3-4-14-13(18)8-15-7-12(20-2)11(17)6-10(15)9-16/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyUUVFFXMUQJSJPW-UHFFFAOYSA-N
XLogP-0.50
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.50
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide (CID 56763615) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cc(OC)c(=O)cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is UUVFFXMUQJSJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-5-3-4-14-13(18)8-15-7-12(20-2)11(17)6-10(15)9-16/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,18).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 284.31 g/mol, XLogP of -0.50, 8 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 56763615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).