1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone

C18H21NO2 — CID 13082116

IUPAC1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N(C)C(C)=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-11-16(13(3)20)18(15-9-7-6-8-10-15)17(14(4)21)12(2)19(11)5/h6-10,18H,1-5H3
InChIKeyGITSMSAWCNYYGH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.44
Rot. Bonds3

About 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone

1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone (PubChem CID 13082116) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone
PubChem CID13082116
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N(C)C(C)=C(C(C)=O)C1c1ccccc1
InChIInChI=1S/C18H21NO2/c1-11-16(13(3)20)18(15-9-7-6-8-10-15)17(14(4)21)12(2)19(11)5/h6-10,18H,1-5H3
InChIKeyGITSMSAWCNYYGH-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone (CID 13082116) is 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone is CC(=O)C1=C(C)N(C)C(C)=C(C(C)=O)C1c1ccccc1.
What is the InChIKey of 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone?
The InChIKey is GITSMSAWCNYYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-16(13(3)20)18(15-9-7-6-8-10-15)17(14(4)21)12(2)19(11)5/h6-10,18H,1-5H3.
What are the key properties of 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone?
1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-1,2,6-trimethyl-4-phenyl-4H-pyridin-3-yl)ethanone is sourced from PubChem (CID 13082116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).