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

C13H20N2O4 — CID 82063857

IUPACN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C13H20N2O4/c1-3-4-5-15(2)13(18)9-19-12-7-14-10(8-16)6-11(12)17/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyHASLYVIMHXRAMF-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.50
Rot. Bonds7

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

N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide (PubChem CID 82063857) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
PubChem CID82063857
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1c[nH]c(CO)cc1=O
InChIInChI=1S/C13H20N2O4/c1-3-4-5-15(2)13(18)9-19-12-7-14-10(8-16)6-11(12)17/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,17)
InChIKeyHASLYVIMHXRAMF-UHFFFAOYSA-N
XLogP0.50
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]-N-methylacetamide?
The IUPAC name of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide (CID 82063857) is N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide is CCCCN(C)C(=O)COc1c[nH]c(CO)cc1=O.
What is the InChIKey of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
The InChIKey is HASLYVIMHXRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-4-5-15(2)13(18)9-19-12-7-14-10(8-16)6-11(12)17/h6-7,16H,3-5,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide?
N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide has a molecular weight of 268.31 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 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]-N-methylacetamide is sourced from PubChem (CID 82063857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).