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

C13H20N2O3 — CID 82064561

IUPACN-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCCCN(C)C(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-8-15(3)12(17)9-18-13-10(2)14-7-6-11(13)16/h6-7H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyUHYXYZANCBJWDF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.32
Rot. Bonds6

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

N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 82064561) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID82064561
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCCCN(C)C(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C13H20N2O3/c1-4-5-8-15(3)12(17)9-18-13-10(2)14-7-6-11(13)16/h6-7H,4-5,8-9H2,1-3H3,(H,14,16)
InChIKeyUHYXYZANCBJWDF-UHFFFAOYSA-N
XLogP1.32
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 82064561) is N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is CCCCN(C)C(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is UHYXYZANCBJWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-8-15(3)12(17)9-18-13-10(2)14-7-6-11(13)16/h6-7H,4-5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 82064561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).