1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone

C16H17NO — CID 101376754

IUPAC1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
SMILESCCc1c(Cc2ccccc2)cncc1C(C)=O
InChIInChI=1S/C16H17NO/c1-3-15-14(9-13-7-5-4-6-8-13)10-17-11-16(15)12(2)18/h4-8,10-11H,3,9H2,1-2H3
InChIKeyADIOEWYWPLWLQL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.44
Rot. Bonds4

About 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone

1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone (PubChem CID 101376754) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
PubChem CID101376754
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone
SMILESCCc1c(Cc2ccccc2)cncc1C(C)=O
InChIInChI=1S/C16H17NO/c1-3-15-14(9-13-7-5-4-6-8-13)10-17-11-16(15)12(2)18/h4-8,10-11H,3,9H2,1-2H3
InChIKeyADIOEWYWPLWLQL-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibenzylphenyl)ethanone
CID 70182248
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
2-benzyl-3,4-diethyl-6-methylphenol
CID 71428370
1-(3-ethylazulen-1-yl)ethanone
CID 15255142
1-(5-benzyl-2-hydroxy-1H-pyrrol-3-yl)ethanone
CID 11264383
butane-2,3-dione;ethylbenzene
CID 174875574
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
CID 11459527
3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
CID 10641246
1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
CID 101402075
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
acetic acid;2-benzylaniline
CID 174872932
acetic acid;ethane;ethylbenzene;methane
CID 159768897

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone (CID 101376754) is 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone is CCc1c(Cc2ccccc2)cncc1C(C)=O.
What is the InChIKey of 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone?
The InChIKey is ADIOEWYWPLWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-15-14(9-13-7-5-4-6-8-13)10-17-11-16(15)12(2)18/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone?
1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-4-ethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 101376754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).