2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one

C13H18N2O5 — CID 82063850

IUPAC2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
SMILESO=C(CCOc1c[nH]c(CO)cc1=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c16-9-10-7-11(17)12(8-14-10)20-4-1-13(18)15-2-5-19-6-3-15/h7-8,16H,1-6,9H2,(H,14,17)
InChIKeyNPDMBBNLTUSDQJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.51
Rot. Bonds5

About 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one

2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one (PubChem CID 82063850) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
PubChem CID82063850
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
SMILESO=C(CCOc1c[nH]c(CO)cc1=O)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c16-9-10-7-11(17)12(8-14-10)20-4-1-13(18)15-2-5-19-6-3-15/h7-8,16H,1-6,9H2,(H,14,17)
InChIKeyNPDMBBNLTUSDQJ-UHFFFAOYSA-N
XLogP-0.51
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-(3-methoxypropyl)acetamide
CID 56763615
2-(hydroxymethyl)-5-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one
CID 82063848
2-(hydroxymethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
CID 82063849
N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063851
2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82063852
N,N-diethyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063855
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N,N-dipropylacetamide
CID 82063856
N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
CID 82063857
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 82063858
N-butyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063859
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-(2-methylpropyl)acetamide
CID 82063860
N-butan-2-yl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063861

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one (CID 82063850) is 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one is O=C(CCOc1c[nH]c(CO)cc1=O)N1CCOCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The InChIKey is NPDMBBNLTUSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-9-10-7-11(17)12(8-14-10)20-4-1-13(18)15-2-5-19-6-3-15/h7-8,16H,1-6,9H2,(H,14,17).
What are the key properties of 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one has a molecular weight of 282.30 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).