1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one

C26H30N2O3 — CID 158254628

IUPAC1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one
SMILESCC1=CN(c2ccc(C)cc2)CC(=O)C1.COc1ccc(N2C=C(C)CC(=O)C2)cc1
InChIInChI=1S/C13H15NO2.C13H15NO/c1-10-7-12(15)9-14(8-10)11-3-5-13(16-2)6-4-11;1-10-3-5-12(6-4-10)14-8-11(2)7-13(15)9-14/h3-6,8H,7,9H2,1-2H3;3-6,8H,7,9H2,1-2H3
InChIKeyGHCZQOQZTHXMRD-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.06
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one

1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one (PubChem CID 158254628) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one
PubChem CID158254628
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one
SMILESCC1=CN(c2ccc(C)cc2)CC(=O)C1.COc1ccc(N2C=C(C)CC(=O)C2)cc1
InChIInChI=1S/C13H15NO2.C13H15NO/c1-10-7-12(15)9-14(8-10)11-3-5-13(16-2)6-4-11;1-10-3-5-12(6-4-10)14-8-11(2)7-13(15)9-14/h3-6,8H,7,9H2,1-2H3;3-6,8H,7,9H2,1-2H3
InChIKeyGHCZQOQZTHXMRD-UHFFFAOYSA-N
XLogP5.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one (CID 158254628) is 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one is CC1=CN(c2ccc(C)cc2)CC(=O)C1.COc1ccc(N2C=C(C)CC(=O)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one?
The InChIKey is GHCZQOQZTHXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.C13H15NO/c1-10-7-12(15)9-14(8-10)11-3-5-13(16-2)6-4-11;1-10-3-5-12(6-4-10)14-8-11(2)7-13(15)9-14/h3-6,8H,7,9H2,1-2H3;3-6,8H,7,9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one?
1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one has a molecular weight of 418.54 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-2,4-dihydropyridin-3-one;5-methyl-1-(4-methylphenyl)-2,4-dihydropyridin-3-one is sourced from PubChem (CID 158254628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).