1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one

C15H24N2O4 — CID 82217135

IUPAC1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C15H24N2O4/c1-3-11(2)17-12(10-18)8-14(19)15(20)13(17)9-16-4-6-21-7-5-16/h8,11,18,20H,3-7,9-10H2,1-2H3
InChIKeyYMXSGCHBLDYAKK-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.85
Rot. Bonds5

About 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one

1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 82217135) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID82217135
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCC(C)n1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C15H24N2O4/c1-3-11(2)17-12(10-18)8-14(19)15(20)13(17)9-16-4-6-21-7-5-16/h8,11,18,20H,3-7,9-10H2,1-2H3
InChIKeyYMXSGCHBLDYAKK-UHFFFAOYSA-N
XLogP0.85
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217431
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)pyridin-4-one
CID 82217127
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
CID 71700816
2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
CID 71708477
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
2-(azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217415
2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
CID 82217424
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
5-hydroxy-1-(2-hydroxypropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218215

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 82217135) is 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is CCC(C)n1c(CO)cc(=O)c(O)c1CN1CCOCC1.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is YMXSGCHBLDYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-11(2)17-12(10-18)8-14(19)15(20)13(17)9-16-4-6-21-7-5-16/h8,11,18,20H,3-7,9-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 296.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).