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

C12H18N2O4 — CID 82063861

IUPACN-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCC(C)NC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-3-8(2)14-12(17)7-18-11-5-13-9(6-15)4-10(11)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNYXPOWFQKNZVCL-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.16
Rot. Bonds6

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

N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (PubChem CID 82063861) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
PubChem CID82063861
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCC(C)NC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-3-8(2)14-12(17)7-18-11-5-13-9(6-15)4-10(11)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNYXPOWFQKNZVCL-UHFFFAOYSA-N
XLogP0.16
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (CID 82063861) is N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is CCC(C)NC(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The InChIKey is NYXPOWFQKNZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-8(2)14-12(17)7-18-11-5-13-9(6-15)4-10(11)16/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is sourced from PubChem (CID 82063861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).