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

C13H20N2O4 — CID 56698847

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCOc1cn(CC(=O)NCC(C)C)c(CO)cc1=O
InChIInChI=1S/C13H20N2O4/c1-9(2)5-14-13(18)7-15-6-12(19-3)11(17)4-10(15)8-16/h4,6,9,16H,5,7-8H2,1-3H3,(H,14,18)
InChIKeyWOQYVMGBAHCFAU-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.12
Rot. Bonds6

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

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide (PubChem CID 56698847) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
PubChem CID56698847
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCOc1cn(CC(=O)NCC(C)C)c(CO)cc1=O
InChIInChI=1S/C13H20N2O4/c1-9(2)5-14-13(18)7-15-6-12(19-3)11(17)4-10(15)8-16/h4,6,9,16H,5,7-8H2,1-3H3,(H,14,18)
InChIKeyWOQYVMGBAHCFAU-UHFFFAOYSA-N
XLogP0.12
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide (CID 56698847) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide is COc1cn(CC(=O)NCC(C)C)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The InChIKey is WOQYVMGBAHCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(2)5-14-13(18)7-15-6-12(19-3)11(17)4-10(15)8-16/h4,6,9,16H,5,7-8H2,1-3H3,(H,14,18).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 56698847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).