5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one

C16H22N4O3 — CID 94961030

IUPAC5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCOCC2)n(CCCn2ccnc2)cc1O
InChIInChI=1S/C16H22N4O3/c21-15-10-14(11-18-6-8-23-9-7-18)20(12-16(15)22)4-1-3-19-5-2-17-13-19/h2,5,10,12-13,22H,1,3-4,6-9,11H2
InChIKeyWOAUGPOQBZFHKE-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.67
Rot. Bonds6

About 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one

5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 94961030) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID94961030
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CN2CCOCC2)n(CCCn2ccnc2)cc1O
InChIInChI=1S/C16H22N4O3/c21-15-10-14(11-18-6-8-23-9-7-18)20(12-16(15)22)4-1-3-19-5-2-17-13-19/h2,5,10,12-13,22H,1,3-4,6-9,11H2
InChIKeyWOAUGPOQBZFHKE-UHFFFAOYSA-N
XLogP0.67
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
5-hydroxy-1-(2-hydroxypropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218215
1-[2-(cyclohexen-1-yl)ethyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94961024
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
CID 94960570
(3S)-N-(2-imidazol-1-ylethyl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 97146221
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 94961030) is 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is O=c1cc(CN2CCOCC2)n(CCCn2ccnc2)cc1O.
What is the InChIKey of 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is WOAUGPOQBZFHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15-10-14(11-18-6-8-23-9-7-18)20(12-16(15)22)4-1-3-19-5-2-17-13-19/h2,5,10,12-13,22H,1,3-4,6-9,11H2.
What are the key properties of 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 318.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94961030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).