5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

C16H19NO2 — CID 69441985

IUPAC5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(C)C)c2)cc1
InChIInChI=1S/C16H19NO2/c1-12(2)10-17-11-14(6-9-16(17)18)13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3
InChIKeyTXRFWOXIIUIDHO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.18
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 69441985) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID69441985
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(C)C)c2)cc1
InChIInChI=1S/C16H19NO2/c1-12(2)10-17-11-14(6-9-16(17)18)13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3
InChIKeyTXRFWOXIIUIDHO-UHFFFAOYSA-N
XLogP3.18
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
5-(4-methoxyphenyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 69441988
5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one
CID 58966928
2-[6-(4-methoxyphenyl)-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911476
(4-methoxyphenyl) 2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylate
CID 53092828
1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
CID 69443395
1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 58016642
methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
CID 165131409
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 89122782
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (CID 69441985) is 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is COc1ccc(-c2ccc(=O)n(CC(C)C)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is TXRFWOXIIUIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(2)10-17-11-14(6-9-16(17)18)13-4-7-15(19-3)8-5-13/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 69441985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).