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

C12H18N2O4 — CID 82063860

IUPAC2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)4-14-12(17)7-18-11-5-13-9(6-15)3-10(11)16/h3,5,8,15H,4,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyUDASFRLGTBOLGY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.02
Rot. Bonds6

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

2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide (PubChem CID 82063860) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide
PubChem CID82063860
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8(2)4-14-12(17)7-18-11-5-13-9(6-15)3-10(11)16/h3,5,8,15H,4,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyUDASFRLGTBOLGY-UHFFFAOYSA-N
XLogP0.02
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-methylpropyl)acetamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide (CID 82063860) is 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide?
The InChIKey is UDASFRLGTBOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(2)4-14-12(17)7-18-11-5-13-9(6-15)3-10(11)16/h3,5,8,15H,4,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide?
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82063860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).