1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone

C21H19NO2 — CID 617712

IUPAC1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=CN(c2ccccc2)C=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15(23)19-13-22(18-11-7-4-8-12-18)14-20(16(2)24)21(19)17-9-5-3-6-10-17/h3-14,21H,1-2H3
InChIKeyUDEVTWPVQPLQNN-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone

1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone (PubChem CID 617712) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone
PubChem CID617712
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=CN(c2ccccc2)C=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15(23)19-13-22(18-11-7-4-8-12-18)14-20(16(2)24)21(19)17-9-5-3-6-10-17/h3-14,21H,1-2H3
InChIKeyUDEVTWPVQPLQNN-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone (CID 617712) is 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone is CC(=O)C1=CN(c2ccccc2)C=C(C(C)=O)C1c1ccccc1.
What is the InChIKey of 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone?
The InChIKey is UDEVTWPVQPLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15(23)19-13-22(18-11-7-4-8-12-18)14-20(16(2)24)21(19)17-9-5-3-6-10-17/h3-14,21H,1-2H3.
What are the key properties of 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone?
1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,4-diphenyl-4H-pyridin-3-yl)ethanone is sourced from PubChem (CID 617712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).