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

C14H22N2O3 — CID 82217431

IUPAC3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCC(C)n1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-11(9-17)7-13(18)14(19)12(16)8-15-5-3-4-6-15/h7,10,17,19H,3-6,8-9H2,1-2H3
InChIKeyVAZNPPZRGXKCOO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds4

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

3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217431) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217431
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCC(C)n1c(CO)cc(=O)c(O)c1CN1CCCC1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-11(9-17)7-13(18)14(19)12(16)8-15-5-3-4-6-15/h7,10,17,19H,3-6,8-9H2,1-2H3
InChIKeyVAZNPPZRGXKCOO-UHFFFAOYSA-N
XLogP1.22
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217415
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
CID 82217424
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490
1-cyclopentyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959006
3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217685
3-hydroxy-6-(hydroxymethyl)-1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959072
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217753
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217431) is 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is CC(C)n1c(CO)cc(=O)c(O)c1CN1CCCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is VAZNPPZRGXKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-11(9-17)7-13(18)14(19)12(16)8-15-5-3-4-6-15/h7,10,17,19H,3-6,8-9H2,1-2H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.22, 4 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-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).