6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile

C16H14N2O3 — CID 19114939

IUPAC6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C16H14N2O3/c1-9-6-4-5-7-11(9)14(19)13-10(2)12(8-17)15(20)18(3)16(13)21/h4-7,21H,1-3H3
InChIKeyXSUVZJLBXCEYDT-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.81
Rot. Bonds2

About 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19114939) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19114939
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C)c1O
InChIInChI=1S/C16H14N2O3/c1-9-6-4-5-7-11(9)14(19)13-10(2)12(8-17)15(20)18(3)16(13)21/h4-7,21H,1-3H3
InChIKeyXSUVZJLBXCEYDT-UHFFFAOYSA-N
XLogP1.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138
6-hydroxy-1,4-dimethyl-2-oxo-5-(thiophene-2-carbonyl)pyridine-3-carbonitrile
CID 19114959
6-hydroxy-5-(3-methoxybenzoyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114943
5-[2-(2,3-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114998
6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115005
6-hydroxy-1,4-dimethyl-2-oxo-5-(3,5,6-trimethyl-1-benzofuran-2-carbonyl)pyridine-3-carbonitrile
CID 19115033
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
6-hydroxy-4-methyl-1-(2-methylpropyl)-5-(2-nitrobenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116038
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115957
6-hydroxy-4-methyl-5-(naphthalene-1-carbonyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115657
5-(4-heptoxybenzoyl)-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114984

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile (CID 19114939) is 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile is Cc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C)c1O.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is XSUVZJLBXCEYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-6-4-5-7-11(9)14(19)13-10(2)12(8-17)15(20)18(3)16(13)21/h4-7,21H,1-3H3.
What are the key properties of 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).