2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one

C13H14N2O2 — CID 45095780

IUPAC2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1Cc1cccnc1
InChIInChI=1S/C13H14N2O2/c1-2-11-13(17)12(16)5-7-15(11)9-10-4-3-6-14-8-10/h3-8,17H,2,9H2,1H3
InChIKeyDKIWGPFKOXKBTL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds3

About 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one (PubChem CID 45095780) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
PubChem CID45095780
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1Cc1cccnc1
InChIInChI=1S/C13H14N2O2/c1-2-11-13(17)12(16)5-7-15(11)9-10-4-3-6-14-8-10/h3-8,17H,2,9H2,1H3
InChIKeyDKIWGPFKOXKBTL-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 1484516
3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
CID 54024635
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
3-ethylpyridine
CID 10823
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
4-ethyl-11-(pyridin-3-ylmethyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66505496
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
tert-butyl 2-ethyl-4-oxo-5-(pyridin-3-ylmethyl)imidazo[4,5-c]pyridine-1-carboxylate
CID 71521758
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
2-ethyl-6-methyl-4-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040065

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one (CID 45095780) is 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one is CCc1c(O)c(=O)ccn1Cc1cccnc1.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one?
The InChIKey is DKIWGPFKOXKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11-13(17)12(16)5-7-15(11)9-10-4-3-6-14-8-10/h3-8,17H,2,9H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one is sourced from PubChem (CID 45095780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).