1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one

C16H17NO — CID 105093184

IUPAC1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
SMILESCc1cncc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-10-15(12-17-11-13)16(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeyRYWWYRRADRIHIF-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.60
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one

1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one (PubChem CID 105093184) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
PubChem CID105093184
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
SMILESCc1cncc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-10-15(12-17-11-13)16(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeyRYWWYRRADRIHIF-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
4-(5-methyl-3-pyridinyl)-4-oxobutanenitrile
CID 20522392
2-(2-bromophenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373951
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one (CID 105093184) is 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one is Cc1cncc(C(=O)CCCc2ccccc2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one?
The InChIKey is RYWWYRRADRIHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-10-15(12-17-11-13)16(18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one?
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one is sourced from PubChem (CID 105093184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).