1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone

C17H17NO2 — CID 138967153

IUPAC1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CCc2ccccc2)c(C(C)=O)n1
InChIInChI=1S/C17H17NO2/c1-12(19)16-11-10-15(17(18-16)13(2)20)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOPDXVEHOAYKMEE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds5

About 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone

1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone (PubChem CID 138967153) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone
PubChem CID138967153
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(CCc2ccccc2)c(C(C)=O)n1
InChIInChI=1S/C17H17NO2/c1-12(19)16-11-10-15(17(18-16)13(2)20)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChIKeyOPDXVEHOAYKMEE-UHFFFAOYSA-N
XLogP3.27
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-phenylethyl)-2-pyridinyl]ethanone
CID 102432683
benzene;1-phenylpropan-2-one
CID 21430852
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
CID 157400114
5-phenylpentan-2-one
CID 16701
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
CID 62744842
2-(2-phenylethyl)naphthalene-1-carboxylic acid
CID 18956874
2-[5-acetyl-2-(2-phenylethyl)phenoxy]acetic acid
CID 70244775
benzene;2-phenylethylbenzene
CID 18982764
1-[5-(aminomethyl)-6-methyl-2-pyridinyl]ethanone
CID 123265247
N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
CID 14716816

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone (CID 138967153) is 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone is CC(=O)c1ccc(CCc2ccccc2)c(C(C)=O)n1.
What is the InChIKey of 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone?
The InChIKey is OPDXVEHOAYKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(19)16-11-10-15(17(18-16)13(2)20)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone?
1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-5-(2-phenylethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 138967153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).