1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

C15H26N2O3 — CID 82217126

IUPAC1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CCO
InChIInChI=1S/C15H26N2O3/c1-5-11(3)17-12(4)9-14(19)15(20)13(17)10-16(6-2)7-8-18/h9,11,18,20H,5-8,10H2,1-4H3
InChIKeyCMCJAEQECFABCE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.65
Rot. Bonds7

About 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217126) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217126
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CCO
InChIInChI=1S/C15H26N2O3/c1-5-11(3)17-12(4)9-14(19)15(20)13(17)10-16(6-2)7-8-18/h9,11,18,20H,5-8,10H2,1-4H3
InChIKeyCMCJAEQECFABCE-UHFFFAOYSA-N
XLogP1.65
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.65
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]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217126) is 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN(CC)CCO.
What is the InChIKey of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is CMCJAEQECFABCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-11(3)17-12(4)9-14(19)15(20)13(17)10-16(6-2)7-8-18/h9,11,18,20H,5-8,10H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.65, 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]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).