6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile

C23H20N2O4 — CID 19117614

IUPAC6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C(C)c3ccccc3)c2O)c1
InChIInChI=1S/C23H20N2O4/c1-14-19(13-24)22(27)25(15(2)16-8-5-4-6-9-16)23(28)20(14)21(26)17-10-7-11-18(12-17)29-3/h4-12,15,28H,1-3H3
InChIKeyYYHVNELLTBFNBM-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.58
Rot. Bonds5

About 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile

6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile (PubChem CID 19117614) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
PubChem CID19117614
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
SMILESCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C(C)c3ccccc3)c2O)c1
InChIInChI=1S/C23H20N2O4/c1-14-19(13-24)22(27)25(15(2)16-8-5-4-6-9-16)23(28)20(14)21(26)17-10-7-11-18(12-17)29-3/h4-12,15,28H,1-3H3
InChIKeyYYHVNELLTBFNBM-UHFFFAOYSA-N
XLogP3.58
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile (CID 19117614) is 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile is COc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C(C)c3ccccc3)c2O)c1.
What is the InChIKey of 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is YYHVNELLTBFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-19(13-24)22(27)25(15(2)16-8-5-4-6-9-16)23(28)20(14)21(26)17-10-7-11-18(12-17)29-3/h4-12,15,28H,1-3H3.
What are the key properties of 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile?
6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 388.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-methoxybenzoyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19117614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).