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

C23H20N2O3 — CID 19116806

IUPAC6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCc2ccccc2)c1O
InChIInChI=1S/C23H20N2O3/c1-15-8-6-7-11-18(15)21(26)20-16(2)19(14-24)22(27)25(23(20)28)13-12-17-9-4-3-5-10-17/h3-11,28H,12-13H2,1-2H3
InChIKeyTVQIZDNWGGAZHJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.52
Rot. Bonds5

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

6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (PubChem CID 19116806) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
PubChem CID19116806
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCc2ccccc2)c1O
InChIInChI=1S/C23H20N2O3/c1-15-8-6-7-11-18(15)21(26)20-16(2)19(14-24)22(27)25(23(20)28)13-12-17-9-4-3-5-10-17/h3-11,28H,12-13H2,1-2H3
InChIKeyTVQIZDNWGGAZHJ-UHFFFAOYSA-N
XLogP3.52
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile (CID 19116806) is 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile is Cc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCc2ccccc2)c1O.
What is the InChIKey of 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
The InChIKey is TVQIZDNWGGAZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-8-6-7-11-18(15)21(26)20-16(2)19(14-24)22(27)25(23(20)28)13-12-17-9-4-3-5-10-17/h3-11,28H,12-13H2,1-2H3.
What are the key properties of 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile has a molecular weight of 372.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19116806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).