6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile

C19H20N2O4 — CID 19116016

IUPAC6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccccc2)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C19H20N2O4/c1-12(2)10-21-18(23)15(9-20)13(3)17(19(21)24)16(22)11-25-14-7-5-4-6-8-14/h4-8,12,24H,10-11H2,1-3H3
InChIKeyGELNJTPHTISOQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.65
Rot. Bonds6

About 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile

6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile (PubChem CID 19116016) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
PubChem CID19116016
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccccc2)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C19H20N2O4/c1-12(2)10-21-18(23)15(9-20)13(3)17(19(21)24)16(22)11-25-14-7-5-4-6-8-14/h4-8,12,24H,10-11H2,1-3H3
InChIKeyGELNJTPHTISOQK-UHFFFAOYSA-N
XLogP2.65
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19117086
6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116820
6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116073
6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117645
5-[2-(4-chlorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116816
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxopyridine-3-carbonitrile
CID 19118427
5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115109
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116072
6-hydroxy-4-methyl-5-[2-(3-methylphenoxy)acetyl]-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117378
6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
CID 19117423
5-[2-(4-chlorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117352
1-butan-2-yl-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115905

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile (CID 19116016) is 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile is Cc1c(C(=O)COc2ccccc2)c(O)n(CC(C)C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The InChIKey is GELNJTPHTISOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)10-21-18(23)15(9-20)13(3)17(19(21)24)16(22)11-25-14-7-5-4-6-8-14/h4-8,12,24H,10-11H2,1-3H3.
What are the key properties of 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19116016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).