3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C13H20N2O3 — CID 82217158

IUPAC3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCO
InChIInChI=1S/C13H20N2O3/c1-10-8-12(17)13(18)11(15(10)6-7-16)9-14-4-2-3-5-14/h8,16,18H,2-7,9H2,1H3
InChIKeyRUUPRCUBODJWLX-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.45
Rot. Bonds4

About 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217158) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217158
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCO
InChIInChI=1S/C13H20N2O3/c1-10-8-12(17)13(18)11(15(10)6-7-16)9-14-4-2-3-5-14/h8,16,18H,2-7,9H2,1H3
InChIKeyRUUPRCUBODJWLX-UHFFFAOYSA-N
XLogP0.45
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217158) is 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCC2)n1CCO.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is RUUPRCUBODJWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-12(17)13(18)11(15(10)6-7-16)9-14-4-2-3-5-14/h8,16,18H,2-7,9H2,1H3.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).