6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one

C22H15ClN2O — CID 18767973

IUPAC6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)cc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-8-6-16(7-9-18)20-14-19(15-10-12-24-13-11-15)21(22(26)25-20)17-4-2-1-3-5-17/h1-14H,(H,25,26)
InChIKeyARDJTFYYGXLWFS-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.42
Rot. Bonds3

About 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one

6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 18767973) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
PubChem CID18767973
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)cc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-8-6-16(7-9-18)20-14-19(15-10-12-24-13-11-15)21(22(26)25-20)17-4-2-1-3-5-17/h1-14H,(H,25,26)
InChIKeyARDJTFYYGXLWFS-UHFFFAOYSA-N
XLogP5.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one (CID 18767973) is 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one is O=c1[nH]c(-c2ccc(Cl)cc2)cc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is ARDJTFYYGXLWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-8-6-16(7-9-18)20-14-19(15-10-12-24-13-11-15)21(22(26)25-20)17-4-2-1-3-5-17/h1-14H,(H,25,26).
What are the key properties of 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 358.83 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 18767973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).