1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one

C50H47N5O7 — CID 158902069

IUPAC1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one
SMILESCOc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(=O)n(-c2cccc([N+](=O)[O-])c2)c1.Cc1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H13NO2.C13H13NO.C12H10N2O3.C12H11NO/c1-10-3-8-13(15)14(9-10)11-4-6-12(16-2)7-5-11;1-10-3-6-12(7-4-10)14-9-11(2)5-8-13(14)15;1-9-5-6-12(15)13(8-9)10-3-2-4-11(7-10)14(16)17;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h3-9H,1-2H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3
InChIKeyJFOMYGPIBOEZIF-UHFFFAOYSA-N
MW829.95 g/mol
LogP8.81
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one

1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one (PubChem CID 158902069) has the molecular formula C50H47N5O7 and a molecular weight of 829.95 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one
PubChem CID158902069
Molecular FormulaC50H47N5O7
Molecular Weight829.95 g/mol
Exact Mass829.35
IUPAC Name1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one
SMILESCOc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(=O)n(-c2cccc([N+](=O)[O-])c2)c1.Cc1ccc(=O)n(-c2ccccc2)c1
InChIInChI=1S/C13H13NO2.C13H13NO.C12H10N2O3.C12H11NO/c1-10-3-8-13(15)14(9-10)11-4-6-12(16-2)7-5-11;1-10-3-6-12(7-4-10)14-9-11(2)5-8-13(14)15;1-9-5-6-12(15)13(8-9)10-3-2-4-11(7-10)14(16)17;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h3-9H,1-2H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3
InChIKeyJFOMYGPIBOEZIF-UHFFFAOYSA-N
XLogP8.81
TPSA140.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.95
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)-3-phenylimidazol-2-one
CID 102084905
2-(4-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
CID 1115477
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 89122782
4-(4-methoxyphenyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione
CID 1157490
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
1-(4-methoxyphenyl)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1359612
(2R)-3-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 1249461
(3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7431710
3-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 3115665
2-(4-methoxyphenyl)-1-methyl-5-(3-nitrophenyl)-3-phenylimidazol-1-ium-4-thiolate
CID 102338674
N-(3,3-diphenylpropyl)-3-(4-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4010497
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one (CID 158902069) is 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one is COc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(-n2cc(C)ccc2=O)cc1.Cc1ccc(=O)n(-c2cccc([N+](=O)[O-])c2)c1.Cc1ccc(=O)n(-c2ccccc2)c1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one?
The InChIKey is JFOMYGPIBOEZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C13H13NO.C12H10N2O3.C12H11NO/c1-10-3-8-13(15)14(9-10)11-4-6-12(16-2)7-5-11;1-10-3-6-12(7-4-10)14-9-11(2)5-8-13(14)15;1-9-5-6-12(15)13(8-9)10-3-2-4-11(7-10)14(16)17;1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h3-9H,1-2H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one?
1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one has a molecular weight of 829.95 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one is sourced from PubChem (CID 158902069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).