4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one

C16H19NO4 — CID 10517527

IUPAC4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
SMILESCCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H19NO4/c1-3-4-14(18)13-9-10-17(16(20)15(13)19)11-5-7-12(21-2)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyWVPAHVKVVGIJJY-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.61
Rot. Bonds5

About 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one

4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one (PubChem CID 10517527) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
PubChem CID10517527
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
SMILESCCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H19NO4/c1-3-4-14(18)13-9-10-17(16(20)15(13)19)11-5-7-12(21-2)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyWVPAHVKVVGIJJY-UHFFFAOYSA-N
XLogP2.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
CID 10732167
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
ethyl 2-[5-hydroxy-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]-2-oxoacetate
CID 90154880
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 22937595
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10619709
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108575948
2-[5-(N-amino-4-methoxyanilino)-6-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-4-yl]prop-2-enamide
CID 70280685
1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 64955856
3-chloro-N-[6-(4-methoxyphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]propanamide
CID 142710470
1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 79515540

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one (CID 10517527) is 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one is CCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
The InChIKey is WVPAHVKVVGIJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-4-14(18)13-9-10-17(16(20)15(13)19)11-5-7-12(21-2)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one?
4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one has a molecular weight of 289.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10517527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).