3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C19H24N2O2 — CID 94959025

IUPAC3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15-13-18(22)19(23)17(14-20-10-5-6-11-20)21(15)12-9-16-7-3-2-4-8-16/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3
InChIKeyBWJYZMORLYBIAQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.70
Rot. Bonds5

About 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 94959025) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID94959025
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15-13-18(22)19(23)17(14-20-10-5-6-11-20)21(15)12-9-16-7-3-2-4-8-16/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3
InChIKeyBWJYZMORLYBIAQ-UHFFFAOYSA-N
XLogP2.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959152
2-(azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217415
1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217363
2-[(dimethylamino)methyl]-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-6-methylpyridin-4-one
CID 82217101
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
2-[[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 71704697
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217685
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
3-hydroxy-6-(hydroxymethyl)-1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959072
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
CID 30322612

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 94959025) is 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCC2)n1CCc1ccccc1.
What is the InChIKey of 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is BWJYZMORLYBIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-13-18(22)19(23)17(14-20-10-5-6-11-20)21(15)12-9-16-7-3-2-4-8-16/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 312.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94959025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).