5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C15H22N2O3 — CID 82218489

IUPAC5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCC2)n(CC2CCCO2)cc1O
InChIInChI=1S/C15H22N2O3/c18-14-8-12(9-16-5-1-2-6-16)17(11-15(14)19)10-13-4-3-7-20-13/h8,11,13,19H,1-7,9-10H2
InChIKeyGMDXBLQIUQNICW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds4

About 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82218489) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82218489
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCC2)n(CC2CCCO2)cc1O
InChIInChI=1S/C15H22N2O3/c18-14-8-12(9-16-5-1-2-6-16)17(11-15(14)19)10-13-4-3-7-20-13/h8,11,13,19H,1-7,9-10H2
InChIKeyGMDXBLQIUQNICW-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 94959672
4-bromo-2-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46840100
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-(2-methylpropyl)pyridin-4-one
CID 94959809
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
CID 94960570
2,4-dioxo-3-(oxolan-2-ylmethyl)-5-(piperidin-1-ylmethyl)-1H-pyrimidine-6-carboxylic acid
CID 133148553

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82218489) is 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is O=c1cc(CN2CCCC2)n(CC2CCCO2)cc1O.
What is the InChIKey of 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is GMDXBLQIUQNICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-8-12(9-16-5-1-2-6-16)17(11-15(14)19)10-13-4-3-7-20-13/h8,11,13,19H,1-7,9-10H2.
What are the key properties of 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82218489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).