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

C15H24N2O4 — CID 82217103

IUPAC3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCOCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C15H24N2O4/c1-21-8-4-7-17-12(11-18)9-14(19)15(20)13(17)10-16-5-2-3-6-16/h9,18,20H,2-8,10-11H2,1H3
InChIKeyQBNXIDNUJNDRFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.68
Rot. Bonds7

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

3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217103) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217103
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCOCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C15H24N2O4/c1-21-8-4-7-17-12(11-18)9-14(19)15(20)13(17)10-16-5-2-3-6-16/h9,18,20H,2-8,10-11H2,1H3
InChIKeyQBNXIDNUJNDRFF-UHFFFAOYSA-N
XLogP0.68
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 24881389
N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
CID 145342994
3-Hydroxy-1-(3-methoxypropyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217102
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217104
2-(Diethylaminomethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217106
3-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217108
3-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217109
2-[(Dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217112
2-[[Butyl(methyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217113
2-[[Bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
1-Butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217122

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217103) is 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is COCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is QBNXIDNUJNDRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-21-8-4-7-17-12(11-18)9-14(19)15(20)13(17)10-16-5-2-3-6-16/h9,18,20H,2-8,10-11H2,1H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 296.37 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).