5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one

C16H19NO4 — CID 10732167

IUPAC5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
SMILESCCC(=O)C1=C(OC)C(=O)N(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H19NO4/c1-4-14(18)13-9-10-17(16(19)15(13)21-3)11-5-7-12(20-2)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyWKPXZRCQZQNIAJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.31
Rot. Bonds5

About 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one

5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one (PubChem CID 10732167) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
PubChem CID10732167
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
SMILESCCC(=O)C1=C(OC)C(=O)N(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H19NO4/c1-4-14(18)13-9-10-17(16(19)15(13)21-3)11-5-7-12(20-2)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyWKPXZRCQZQNIAJ-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butanoyl-5-hydroxy-1-(4-methoxyphenyl)-2,3-dihydropyridin-6-one
CID 10517527
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
4-acetyl-5-methoxy-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyridin-6-one
CID 59531989
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10619709
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one
CID 134932730
3-ethyl-6-(4-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 54151775
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 64955856
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11711790
3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 59016561

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one (CID 10732167) is 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one is CCC(=O)C1=C(OC)C(=O)N(c2ccc(OC)cc2)CC1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one?
The InChIKey is WKPXZRCQZQNIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-14(18)13-9-10-17(16(19)15(13)21-3)11-5-7-12(20-2)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one?
5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one has a molecular weight of 289.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10732167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).