1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one

C17H19NO — CID 105097579

IUPAC1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)c1ccc(C(=O)CCc2ccccn2)cc1
InChIInChI=1S/C17H19NO/c1-13(2)14-6-8-15(9-7-14)17(19)11-10-16-5-3-4-12-18-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeySCVILPIAFIEWMI-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one

1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one (PubChem CID 105097579) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
PubChem CID105097579
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
SMILESCC(C)c1ccc(C(=O)CCc2ccccn2)cc1
InChIInChI=1S/C17H19NO/c1-13(2)14-6-8-15(9-7-14)17(19)11-10-16-5-3-4-12-18-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeySCVILPIAFIEWMI-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
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4-ethyl-1-pyridin-2-ylhexan-3-one
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4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126830095
2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one (CID 105097579) is 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one is CC(C)c1ccc(C(=O)CCc2ccccn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is SCVILPIAFIEWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(2)14-6-8-15(9-7-14)17(19)11-10-16-5-3-4-12-18-16/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one?
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 253.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 105097579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).