6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one

C19H16N2O3 — CID 24730405

IUPAC6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
SMILESCc1ccc(-c2cccc(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-14-5-9-16(10-6-14)18-3-2-4-19(22)20(18)13-15-7-11-17(12-8-15)21(23)24/h2-12H,13H2,1H3
InChIKeyQIJACHPEXLOEEJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.78
Rot. Bonds4

About 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one

6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one (PubChem CID 24730405) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
PubChem CID24730405
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
SMILESCc1ccc(-c2cccc(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-14-5-9-16(10-6-14)18-3-2-4-19(22)20(18)13-15-7-11-17(12-8-15)21(23)24/h2-12H,13H2,1H3
InChIKeyQIJACHPEXLOEEJ-UHFFFAOYSA-N
XLogP3.78
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one (CID 24730405) is 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one is Cc1ccc(-c2cccc(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is QIJACHPEXLOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-14-5-9-16(10-6-14)18-3-2-4-19(22)20(18)13-15-7-11-17(12-8-15)21(23)24/h2-12H,13H2,1H3.
What are the key properties of 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one?
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 24730405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).