6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

C16H22N2O3 — CID 19116073

IUPAC6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)CC(C)C)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C16H22N2O3/c1-9(2)6-13(19)14-11(5)12(7-17)15(20)18(16(14)21)8-10(3)4/h9-10,21H,6,8H2,1-5H3
InChIKeyJXRDOSAHVKXWRF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.62
Rot. Bonds5

About 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19116073) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID19116073
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)CC(C)C)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C16H22N2O3/c1-9(2)6-13(19)14-11(5)12(7-17)15(20)18(16(14)21)8-10(3)4/h9-10,21H,6,8H2,1-5H3
InChIKeyJXRDOSAHVKXWRF-UHFFFAOYSA-N
XLogP2.62
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116072
6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19116016
1-[(2-chlorophenyl)methyl]-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19118482
5-(4-tert-butylbenzoyl)-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116005
6-hydroxy-4-methyl-5-(3-methylbenzoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116003
6-hydroxy-4-methyl-1-(2-methylpropyl)-5-(2-nitrobenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116038
5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116082
5-(3,4-dichloro-1-benzothiophene-2-carbonyl)-6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 19116031
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115109
6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19117946
6-hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115005

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (CID 19116073) is 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)CC(C)C)c(O)n(CC(C)C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is JXRDOSAHVKXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)6-13(19)14-11(5)12(7-17)15(20)18(16(14)21)8-10(3)4/h9-10,21H,6,8H2,1-5H3.
What are the key properties of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 290.36 g/mol, XLogP of 2.62, 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-(3-methylbutanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).