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

C12H18N2O4 — CID 82063859

IUPACN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCCCNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-2-3-4-13-12(17)8-18-11-6-14-9(7-15)5-10(11)16/h5-6,15H,2-4,7-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUWMUONPTNNRJRF-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.16
Rot. Bonds7

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

N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (PubChem CID 82063859) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
PubChem CID82063859
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
SMILESCCCCNC(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C12H18N2O4/c1-2-3-4-13-12(17)8-18-11-6-14-9(7-15)5-10(11)16/h5-6,15H,2-4,7-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyUWMUONPTNNRJRF-UHFFFAOYSA-N
XLogP0.16
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The IUPAC name of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide (CID 82063859) is N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide.
What is the SMILES notation for N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The canonical SMILES for N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is CCCCNC(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
The InChIKey is UWMUONPTNNRJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-3-4-13-12(17)8-18-11-6-14-9(7-15)5-10(11)16/h5-6,15H,2-4,7-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide?
N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide is sourced from PubChem (CID 82063859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).