3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one

C13H22N2O4 — CID 82217292

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one
SMILESCCCn1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C13H22N2O4/c1-3-4-15-10(9-17)7-12(18)13(19)11(15)8-14(2)5-6-16/h7,16-17,19H,3-6,8-9H2,1-2H3
InChIKeyNLLWFCOJDKMNDP-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.12
Rot. Bonds7

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one (PubChem CID 82217292) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one
PubChem CID82217292
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one
SMILESCCCn1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C13H22N2O4/c1-3-4-15-10(9-17)7-12(18)13(19)11(15)8-14(2)5-6-16/h7,16-17,19H,3-6,8-9H2,1-2H3
InChIKeyNLLWFCOJDKMNDP-UHFFFAOYSA-N
XLogP-0.12
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one (CID 82217292) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one is CCCn1c(CO)cc(=O)c(O)c1CN(C)CCO.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one?
The InChIKey is NLLWFCOJDKMNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-4-15-10(9-17)7-12(18)13(19)11(15)8-14(2)5-6-16/h7,16-17,19H,3-6,8-9H2,1-2H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one has a molecular weight of 270.33 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one is sourced from PubChem (CID 82217292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).