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

C23H20N2O3 — CID 19117877

IUPAC6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(O)c(C(=O)c3cccc(C)c3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-14-7-9-17(10-8-14)13-25-22(27)19(12-24)16(3)20(23(25)28)21(26)18-6-4-5-15(2)11-18/h4-11,28H,13H2,1-3H3
InChIKeyHDHPOGLSLNBHET-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.63
Rot. Bonds4

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

6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 19117877) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID19117877
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(O)c(C(=O)c3cccc(C)c3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-14-7-9-17(10-8-14)13-25-22(27)19(12-24)16(3)20(23(25)28)21(26)18-6-4-5-15(2)11-18/h4-11,28H,13H2,1-3H3
InChIKeyHDHPOGLSLNBHET-UHFFFAOYSA-N
XLogP3.63
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.63
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-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 19117877) is 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is Cc1ccc(Cn2c(O)c(C(=O)c3cccc(C)c3)c(C)c(C#N)c2=O)cc1.
What is the InChIKey of 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is HDHPOGLSLNBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-14-7-9-17(10-8-14)13-25-22(27)19(12-24)16(3)20(23(25)28)21(26)18-6-4-5-15(2)11-18/h4-11,28H,13H2,1-3H3.
What are the key properties of 6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 372.42 g/mol, XLogP of 3.63, 4 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-(3-methylbenzoyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).