5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

C23H19ClN2O3 — CID 19117970

IUPAC5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(O)c(C(=O)Cc3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-14-3-5-17(6-4-14)13-26-22(28)19(12-25)15(2)21(23(26)29)20(27)11-16-7-9-18(24)10-8-16/h3-10,29H,11,13H2,1-2H3
InChIKeyPLASLUAUGUXCPW-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.17
Rot. Bonds5

About 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile

5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 19117970) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID19117970
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(O)c(C(=O)Cc3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C23H19ClN2O3/c1-14-3-5-17(6-4-14)13-26-22(28)19(12-25)15(2)21(23(26)29)20(27)11-16-7-9-18(24)10-8-16/h3-10,29H,11,13H2,1-2H3
InChIKeyPLASLUAUGUXCPW-UHFFFAOYSA-N
XLogP4.17
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19117946
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
5-[2-(4-ethylphenoxy)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117958
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117877
5-[2-(4-chloro-2-methylphenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117819
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(4-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19118411
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
CID 19118427
6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19118617
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117977
5-[2-(4-chloro-3-methylphenoxy)propanoyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117935
1-hexyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118774
5-[2-(2-chlorophenoxy)acetyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117782

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 19117970) is 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is Cc1ccc(Cn2c(O)c(C(=O)Cc3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is PLASLUAUGUXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-3-5-17(6-4-14)13-26-22(28)19(12-25)15(2)21(23(26)29)20(27)11-16-7-9-18(24)10-8-16/h3-10,29H,11,13H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 406.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)acetyl]-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).