5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C18H22N2O3 — CID 94959515

IUPAC5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCC2)n(CCc2ccc(O)cc2)cc1O
InChIInChI=1S/C18H22N2O3/c21-16-5-3-14(4-6-16)7-10-20-13-18(23)17(22)11-15(20)12-19-8-1-2-9-19/h3-6,11,13,21,23H,1-2,7-10,12H2
InChIKeyXSKCTGLZHKIKTN-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.10
Rot. Bonds5

About 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 94959515) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID94959515
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCCC2)n(CCc2ccc(O)cc2)cc1O
InChIInChI=1S/C18H22N2O3/c21-16-5-3-14(4-6-16)7-10-20-13-18(23)17(22)11-15(20)12-19-8-1-2-9-19/h3-6,11,13,21,23H,1-2,7-10,12H2
InChIKeyXSKCTGLZHKIKTN-UHFFFAOYSA-N
XLogP2.10
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961024
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-1-(oxolan-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82218489
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218661
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
CID 94960399
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 94959515) is 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is O=c1cc(CN2CCCC2)n(CCc2ccc(O)cc2)cc1O.
What is the InChIKey of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is XSKCTGLZHKIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-5-3-14(4-6-16)7-10-20-13-18(23)17(22)11-15(20)12-19-8-1-2-9-19/h3-6,11,13,21,23H,1-2,7-10,12H2.
What are the key properties of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 314.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94959515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).