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

C12H18N2O3 — CID 82064557

IUPACN,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-4-14(5-2)11(16)8-17-12-9(3)13-7-6-10(12)15/h6-7H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyXRELAHSFLSLFES-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds5

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

N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 82064557) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID82064557
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-4-14(5-2)11(16)8-17-12-9(3)13-7-6-10(12)15/h6-7H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyXRELAHSFLSLFES-UHFFFAOYSA-N
XLogP0.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 82064557) is N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is CCN(CC)C(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is XRELAHSFLSLFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-14(5-2)11(16)8-17-12-9(3)13-7-6-10(12)15/h6-7H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 82064557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).