1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone

C17H17NO2 — CID 176581839

IUPAC1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
SMILESCCc1cccc(-c2cnc(C(C)=O)c(C(C)=O)c2)c1
InChIInChI=1S/C17H17NO2/c1-4-13-6-5-7-14(8-13)15-9-16(11(2)19)17(12(3)20)18-10-15/h5-10H,4H2,1-3H3
InChIKeyXCMMQKPMCOPJNO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.72
Rot. Bonds4

About 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone

1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone (PubChem CID 176581839) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
PubChem CID176581839
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
SMILESCCc1cccc(-c2cnc(C(C)=O)c(C(C)=O)c2)c1
InChIInChI=1S/C17H17NO2/c1-4-13-6-5-7-14(8-13)15-9-16(11(2)19)17(12(3)20)18-10-15/h5-10H,4H2,1-3H3
InChIKeyXCMMQKPMCOPJNO-UHFFFAOYSA-N
XLogP3.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 176580494
2-acetyl-5-ethylpyridine-3-carboxylic acid
CID 19902850
5-(3-ethylphenyl)-2-propanoyl-N-[2-(pyrimidin-4-ylamino)ethyl]pyridine-3-carboxamide
CID 176581913

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone (CID 176581839) is 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone is CCc1cccc(-c2cnc(C(C)=O)c(C(C)=O)c2)c1.
What is the InChIKey of 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone?
The InChIKey is XCMMQKPMCOPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-13-6-5-7-14(8-13)15-9-16(11(2)19)17(12(3)20)18-10-15/h5-10H,4H2,1-3H3.
What are the key properties of 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone?
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 176581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).