4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C25H18Cl2N2O2 — CID 129064438

IUPAC4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)[nH]c2=O)cc1
InChIInChI=1S/C25H18Cl2N2O2/c1-15-2-12-20(13-3-15)28-24(30)23-21(16-4-8-18(26)9-5-16)14-22(29-25(23)31)17-6-10-19(27)11-7-17/h2-14H,1H3,(H,28,30)(H,29,31)
InChIKeyFXGXJIPVGIVCGD-UHFFFAOYSA-N
MW449.34 g/mol
LogP6.58
Rot. Bonds4

About 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129064438) has the molecular formula C25H18Cl2N2O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129064438
Molecular FormulaC25H18Cl2N2O2
Molecular Weight449.34 g/mol
Exact Mass448.07
IUPAC Name4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)[nH]c2=O)cc1
InChIInChI=1S/C25H18Cl2N2O2/c1-15-2-12-20(13-3-15)28-24(30)23-21(16-4-8-18(26)9-5-16)14-22(29-25(23)31)17-6-10-19(27)11-7-17/h2-14H,1H3,(H,28,30)(H,29,31)
InChIKeyFXGXJIPVGIVCGD-UHFFFAOYSA-N
XLogP6.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 129064438) is 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)[nH]c2=O)cc1.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FXGXJIPVGIVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O2/c1-15-2-12-20(13-3-15)28-24(30)23-21(16-4-8-18(26)9-5-16)14-22(29-25(23)31)17-6-10-19(27)11-7-17/h2-14H,1H3,(H,28,30)(H,29,31).
What are the key properties of 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 449.34 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129064438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).