4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one

C19H16N2O5 — CID 56927265

IUPAC4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc[nH]c(=O)c2-c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C19H16N2O5/c1-25-16-8-5-13(11-17(16)26-2)15-9-10-20-19(22)18(15)12-3-6-14(7-4-12)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyADUZQSNYLUFVQN-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.63
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one

4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one (PubChem CID 56927265) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one
PubChem CID56927265
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc[nH]c(=O)c2-c2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C19H16N2O5/c1-25-16-8-5-13(11-17(16)26-2)15-9-10-20-19(22)18(15)12-3-6-14(7-4-12)21(23)24/h3-11H,1-2H3,(H,20,22)
InChIKeyADUZQSNYLUFVQN-UHFFFAOYSA-N
XLogP3.63
TPSA94.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(3,4-dimethoxyphenyl)-3-phenyl-1H-pyridin-2-one
CID 56927226
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isochromenylium
CID 14502433
6-methoxy-5-nitro-2H-isoquinolin-1-one
CID 141222598
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450
2-amino-4-[3-methoxy-4-(4-nitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394466
3-fluoro-5-methoxy-4-(4-nitrophenyl)aniline
CID 178094722
2-(3,4-dimethoxyphenyl)-5-nitroisoindole-1,3-dione
CID 110168012
2-methoxy-4-nitrobenzenethiol
CID 22148741

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one (CID 56927265) is 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one is COc1ccc(-c2cc[nH]c(=O)c2-c2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one?
The InChIKey is ADUZQSNYLUFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-16-8-5-13(11-17(16)26-2)15-9-10-20-19(22)18(15)12-3-6-14(7-4-12)21(23)24/h3-11H,1-2H3,(H,20,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one?
4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one has a molecular weight of 352.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-(4-nitrophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 56927265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).