2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide

C10H14N2O3 — CID 79157830

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C)nc1CO
InChIInChI=1S/C10H14N2O3/c1-7-3-4-9(8(5-13)12-7)15-6-10(14)11-2/h3-4,13H,5-6H2,1-2H3,(H,11,14)
InChIKeyGBNQQWHGDMDJSU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.01
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide (PubChem CID 79157830) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
PubChem CID79157830
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C)nc1CO
InChIInChI=1S/C10H14N2O3/c1-7-3-4-9(8(5-13)12-7)15-6-10(14)11-2/h3-4,13H,5-6H2,1-2H3,(H,11,14)
InChIKeyGBNQQWHGDMDJSU-UHFFFAOYSA-N
XLogP0.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide (CID 79157830) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide is CNC(=O)COc1ccc(C)nc1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide?
The InChIKey is GBNQQWHGDMDJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-3-4-9(8(5-13)12-7)15-6-10(14)11-2/h3-4,13H,5-6H2,1-2H3,(H,11,14).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide has a molecular weight of 210.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide is sourced from PubChem (CID 79157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).