1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C15H24N2O3 — CID 82217366

IUPAC1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C15H24N2O3/c1-2-3-8-17-12(11-18)9-14(19)15(20)13(17)10-16-6-4-5-7-16/h9,18,20H,2-8,10-11H2,1H3
InChIKeyCIHYBTRUBOJPQK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds6

About 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217366) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217366
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C15H24N2O3/c1-2-3-8-17-12(11-18)9-14(19)15(20)13(17)10-16-6-4-5-7-16/h9,18,20H,2-8,10-11H2,1H3
InChIKeyCIHYBTRUBOJPQK-UHFFFAOYSA-N
XLogP1.44
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 23378015
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
3-hydroxy-1-methyl-6-(morpholinomethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4(1H)-one
CID 71708923
2-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 49869890
6-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 70895939
2-[(Dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 90346849
N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
CID 145342994
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881387
3-hydroxy-1,6-dimethyl-2-(pyrrolidin-1-ylmethyl)pyridin-4(1H)-one
CID 60175856
3-Hydroxy-1-(3-methoxypropyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217102
3-Hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217103
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217104

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217366) is 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is CCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1.
What is the InChIKey of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is CIHYBTRUBOJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-8-17-12(11-18)9-14(19)15(20)13(17)10-16-6-4-5-7-16/h9,18,20H,2-8,10-11H2,1H3.
What are the key properties of 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).