1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one

C23H26ClN3O — CID 3049068

IUPAC1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one
SMILESCCN(CC)CCNc1cc(-c2ccccc2)cc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O/c1-3-26(4-2)15-14-25-22-16-19(18-8-6-5-7-9-18)17-23(28)27(22)21-12-10-20(24)11-13-21/h5-13,16-17,25H,3-4,14-15H2,1-2H3
InChIKeyCOLACPYMBNROLP-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.91
Rot. Bonds8

About 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one

1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one (PubChem CID 3049068) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one
PubChem CID3049068
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one
SMILESCCN(CC)CCNc1cc(-c2ccccc2)cc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O/c1-3-26(4-2)15-14-25-22-16-19(18-8-6-5-7-9-18)17-23(28)27(22)21-12-10-20(24)11-13-21/h5-13,16-17,25H,3-4,14-15H2,1-2H3
InChIKeyCOLACPYMBNROLP-UHFFFAOYSA-N
XLogP4.91
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one (CID 3049068) is 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one is CCN(CC)CCNc1cc(-c2ccccc2)cc(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one?
The InChIKey is COLACPYMBNROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-3-26(4-2)15-14-25-22-16-19(18-8-6-5-7-9-18)17-23(28)27(22)21-12-10-20(24)11-13-21/h5-13,16-17,25H,3-4,14-15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one?
1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one has a molecular weight of 395.93 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-[2-(diethylamino)ethylamino]-4-phenylpyridin-2-one is sourced from PubChem (CID 3049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).