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

C12H18N2O4 — CID 82063855

IUPACN,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCN(CC)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-3-14(4-2)12(17)8-18-11-6-13-9(7-15)5-10(11)16/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeyWMIRJUZGADQAGD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.11
Rot. Bonds6

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

N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (PubChem CID 82063855) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
PubChem CID82063855
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCN(CC)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-3-14(4-2)12(17)8-18-11-6-13-9(7-15)5-10(11)16/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeyWMIRJUZGADQAGD-UHFFFAOYSA-N
XLogP0.11
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The IUPAC name of N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (CID 82063855) is N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is CCN(CC)C(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The InChIKey is WMIRJUZGADQAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-14(4-2)12(17)8-18-11-6-13-9(7-15)5-10(11)16/h5-6,15H,3-4,7-8H2,1-2H3,(H,13,16).
What are the key properties of N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is sourced from PubChem (CID 82063855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).