1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone

C17H17NO2 — CID 540467

IUPAC1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone
SMILESCC(=O)c1c(C)nc(C)c(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C17H17NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9H,1-4H3
InChIKeyJPSJOMGYWGPSKD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds3

About 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone

1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone (PubChem CID 540467) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone
PubChem CID540467
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone
SMILESCC(=O)c1c(C)nc(C)c(C(C)=O)c1-c1ccccc1
InChIInChI=1S/C17H17NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9H,1-4H3
InChIKeyJPSJOMGYWGPSKD-UHFFFAOYSA-N
XLogP3.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone (CID 540467) is 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone is CC(=O)c1c(C)nc(C)c(C(C)=O)c1-c1ccccc1.
What is the InChIKey of 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone?
The InChIKey is JPSJOMGYWGPSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-15(12(3)19)17(14-8-6-5-7-9-14)16(13(4)20)11(2)18-10/h5-9H,1-4H3.
What are the key properties of 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone?
1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,6-dimethyl-4-phenyl-3-pyridinyl)ethanone is sourced from PubChem (CID 540467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).