1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one

C14H24N2O3 — CID 82217968

IUPAC1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(CC)CCO
InChIInChI=1S/C14H24N2O3/c1-4-11(3)16-10-14(19)13(18)8-12(16)9-15(5-2)6-7-17/h8,10-11,17,19H,4-7,9H2,1-3H3
InChIKeyPMWJDLIGGZLRIT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.34
Rot. Bonds7

About 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one

1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one (PubChem CID 82217968) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one
PubChem CID82217968
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN(CC)CCO
InChIInChI=1S/C14H24N2O3/c1-4-11(3)16-10-14(19)13(18)8-12(16)9-15(5-2)6-7-17/h8,10-11,17,19H,4-7,9H2,1-3H3
InChIKeyPMWJDLIGGZLRIT-UHFFFAOYSA-N
XLogP1.34
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one (CID 82217968) is 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN(CC)CCO.
What is the InChIKey of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one?
The InChIKey is PMWJDLIGGZLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-11(3)16-10-14(19)13(18)8-12(16)9-15(5-2)6-7-17/h8,10-11,17,19H,4-7,9H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one?
1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one has a molecular weight of 268.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).