3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one

C19H18N2O2 — CID 110273718

IUPAC3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Cc2ccccc2)c(O)c1-c1ccccn1
InChIInChI=1S/C19H18N2O2/c1-2-15-17(16-10-6-7-11-20-16)18(22)14(19(23)21-15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,21,22,23)
InChIKeyQCAOFXFAOXAFBO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.30
Rot. Bonds4

About 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one

3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 110273718) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one
PubChem CID110273718
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(Cc2ccccc2)c(O)c1-c1ccccn1
InChIInChI=1S/C19H18N2O2/c1-2-15-17(16-10-6-7-11-20-16)18(22)14(19(23)21-15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,21,22,23)
InChIKeyQCAOFXFAOXAFBO-UHFFFAOYSA-N
XLogP3.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one (CID 110273718) is 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one is CCc1[nH]c(=O)c(Cc2ccccc2)c(O)c1-c1ccccn1.
What is the InChIKey of 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is QCAOFXFAOXAFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-15-17(16-10-6-7-11-20-16)18(22)14(19(23)21-15)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H2,21,22,23).
What are the key properties of 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one?
3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-ethyl-4-hydroxy-5-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 110273718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).