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

C14H22N2O3 — CID 82217275

IUPAC3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C14H22N2O3/c1-2-5-16-11(10-17)8-13(18)14(19)12(16)9-15-6-3-4-7-15/h8,17,19H,2-7,9-10H2,1H3
InChIKeyUWVLQQFIUISMOC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds5

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

3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217275) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217275
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCCCn1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C14H22N2O3/c1-2-5-16-11(10-17)8-13(18)14(19)12(16)9-15-6-3-4-7-15/h8,17,19H,2-7,9-10H2,1H3
InChIKeyUWVLQQFIUISMOC-UHFFFAOYSA-N
XLogP1.05
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
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 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217275) is 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is CCCn1c(CO)cc(=O)c(O)c1CN1CCCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is UWVLQQFIUISMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-5-16-11(10-17)8-13(18)14(19)12(16)9-15-6-3-4-7-15/h8,17,19H,2-7,9-10H2,1H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).