2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one

C13H22N2O4 — CID 82352831

IUPAC2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(COCCOCCN)cc1=O
InChIInChI=1S/C13H22N2O4/c1-2-4-19-13-9-15-11(8-12(13)16)10-18-7-6-17-5-3-14/h8-9H,2-7,10,14H2,1H3,(H,15,16)
InChIKeyVWUMUUTUVJQLJW-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds10

About 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one

2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one (PubChem CID 82352831) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one
PubChem CID82352831
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one
SMILESCCCOc1c[nH]c(COCCOCCN)cc1=O
InChIInChI=1S/C13H22N2O4/c1-2-4-19-13-9-15-11(8-12(13)16)10-18-7-6-17-5-3-14/h8-9H,2-7,10,14H2,1H3,(H,15,16)
InChIKeyVWUMUUTUVJQLJW-UHFFFAOYSA-N
XLogP0.66
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
CID 13376046
2-(azidomethyl)-5-propoxy-1H-pyridin-4-one
CID 42625825
2-(chloromethyl)-5-pentoxy-1H-pyridin-4-one
CID 82063817
butyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanoate
CID 123123491
propyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanoate
CID 123123498
2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one
CID 19019338
4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]butanamide
CID 123123608
2-[(4-methylphenyl)methylsulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123104840
2-[3-(4-chlorophenoxy)propylsulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123116864
2-[[2-(4-bromophenyl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123579
2-(2-piperidin-1-ylethylsulfinylmethyl)-5-propoxy-1H-pyridin-4-one
CID 123120839
ethyl 4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinylmethyl]benzoate
CID 123109216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one (CID 82352831) is 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one is CCCOc1c[nH]c(COCCOCCN)cc1=O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one?
The InChIKey is VWUMUUTUVJQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-4-19-13-9-15-11(8-12(13)16)10-18-7-6-17-5-3-14/h8-9H,2-7,10,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one?
2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one has a molecular weight of 270.33 g/mol, XLogP of 0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one is sourced from PubChem (CID 82352831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).