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

C14H22N2O4 — CID 82217194

IUPAC3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCCO)c(CN2CCCC2)c1O
InChIInChI=1S/C14H22N2O4/c17-7-3-6-16-11(10-18)8-13(19)14(20)12(16)9-15-4-1-2-5-15/h8,17-18,20H,1-7,9-10H2
InChIKeyYUDQBUUUZUUTLJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.02
Rot. Bonds6

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

3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217194) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217194
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCCO)c(CN2CCCC2)c1O
InChIInChI=1S/C14H22N2O4/c17-7-3-6-16-11(10-18)8-13(19)14(20)12(16)9-15-4-1-2-5-15/h8,17-18,20H,1-7,9-10H2
InChIKeyYUDQBUUUZUUTLJ-UHFFFAOYSA-N
XLogP0.02
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217194) is 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is O=c1cc(CO)n(CCCO)c(CN2CCCC2)c1O.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is YUDQBUUUZUUTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-7-3-6-16-11(10-18)8-13(19)14(20)12(16)9-15-4-1-2-5-15/h8,17-18,20H,1-7,9-10H2.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 282.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).