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

C23H20N2O4 — CID 19116765

IUPAC1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)cc1
InChIInChI=1S/C23H20N2O4/c1-15-19(13-24)22(27)25(14-17-6-4-3-5-7-17)23(28)21(15)20(26)12-16-8-10-18(29-2)11-9-16/h3-11,28H,12,14H2,1-2H3
InChIKeyHJKWSQHOZHOQQM-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.22
Rot. Bonds6

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

1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116765) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116765
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)cc1
InChIInChI=1S/C23H20N2O4/c1-15-19(13-24)22(27)25(14-17-6-4-3-5-7-17)23(28)21(15)20(26)12-16-8-10-18(29-2)11-9-16/h3-11,28H,12,14H2,1-2H3
InChIKeyHJKWSQHOZHOQQM-UHFFFAOYSA-N
XLogP3.22
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116765) is 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(CC(=O)c2c(C)c(C#N)c(=O)n(Cc3ccccc3)c2O)cc1.
What is the InChIKey of 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HJKWSQHOZHOQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-19(13-24)22(27)25(14-17-6-4-3-5-7-17)23(28)21(15)20(26)12-16-8-10-18(29-2)11-9-16/h3-11,28H,12,14H2,1-2H3.
What are the key properties of 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 388.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).