2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide

C11H16N2O3 — CID 82064662

IUPAC2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-13-10(15)7-16-11-8(2)12-6-4-9(11)14/h4,6H,3,5,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYMGORIAQGUEARL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.59
Rot. Bonds5

About 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide

2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide (PubChem CID 82064662) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide
PubChem CID82064662
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-5-13-10(15)7-16-11-8(2)12-6-4-9(11)14/h4,6H,3,5,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYMGORIAQGUEARL-UHFFFAOYSA-N
XLogP0.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide?
The IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide (CID 82064662) is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide.
What is the SMILES notation for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide?
The canonical SMILES for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide is CCCNC(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide?
The InChIKey is YMGORIAQGUEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-5-13-10(15)7-16-11-8(2)12-6-4-9(11)14/h4,6H,3,5,7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide?
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide has a molecular weight of 224.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-propylacetamide is sourced from PubChem (CID 82064662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).