1-benzyl-5-(2-phenylethynyl)pyridin-2-one

C20H15NO — CID 69443442

IUPAC1-benzyl-5-(2-phenylethynyl)pyridin-2-one
SMILESO=c1ccc(C#Cc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H15NO/c22-20-14-13-19(12-11-17-7-3-1-4-8-17)16-21(20)15-18-9-5-2-6-10-18/h1-10,13-14,16H,15H2
InChIKeyBENXUPLWGGGGOI-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.30
Rot. Bonds2

About 1-benzyl-5-(2-phenylethynyl)pyridin-2-one

1-benzyl-5-(2-phenylethynyl)pyridin-2-one (PubChem CID 69443442) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-benzyl-5-(2-phenylethynyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-phenylethynyl)pyridin-2-one
PubChem CID69443442
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name1-benzyl-5-(2-phenylethynyl)pyridin-2-one
SMILESO=c1ccc(C#Cc2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C20H15NO/c22-20-14-13-19(12-11-17-7-3-1-4-8-17)16-21(20)15-18-9-5-2-6-10-18/h1-10,13-14,16H,15H2
InChIKeyBENXUPLWGGGGOI-UHFFFAOYSA-N
XLogP3.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dibenzylpyridin-2-one
CID 24938871
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
(1-benzyl-6-oxo-3-pyridinyl)-methanidylazanium
CID 20725575
1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-benzyl-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
CID 159007625
N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
CID 25466968
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1,4-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132302

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-phenylethynyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(2-phenylethynyl)pyridin-2-one (CID 69443442) is 1-benzyl-5-(2-phenylethynyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-phenylethynyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(2-phenylethynyl)pyridin-2-one is O=c1ccc(C#Cc2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-phenylethynyl)pyridin-2-one?
The InChIKey is BENXUPLWGGGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c22-20-14-13-19(12-11-17-7-3-1-4-8-17)16-21(20)15-18-9-5-2-6-10-18/h1-10,13-14,16H,15H2.
What are the key properties of 1-benzyl-5-(2-phenylethynyl)pyridin-2-one?
1-benzyl-5-(2-phenylethynyl)pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-phenylethynyl)pyridin-2-one is sourced from PubChem (CID 69443442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).