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

C15H20N2O3 — CID 19116072

IUPAC6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)C)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C15H20N2O3/c1-8(2)7-17-14(19)11(6-16)10(5)12(15(17)20)13(18)9(3)4/h8-9,20H,7H2,1-5H3
InChIKeyPDVKXWDBDYAKGB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds4

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

6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19116072) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
PubChem CID19116072
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)C)c(O)n(CC(C)C)c(=O)c1C#N
InChIInChI=1S/C15H20N2O3/c1-8(2)7-17-14(19)11(6-16)10(5)12(15(17)20)13(18)9(3)4/h8-9,20H,7H2,1-5H3
InChIKeyPDVKXWDBDYAKGB-UHFFFAOYSA-N
XLogP2.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 50888810
6-Hydroxy-4-methyl-1-(3-methylbutyl)-5-propanoylpyridin-2-one
CID 136474842
1-(2-Ethylhexyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 147853906
6-Hydroxy-1,4-dimethyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115005
6-Hydroxy-1,4-dimethyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19115006
6-Hydroxy-1,4-dimethyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19115007
1-Ethyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115137
1-Ethyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
CID 19115138
1-Ethyl-6-hydroxy-4-methyl-2-oxo-5-pentanoylpyridine-3-carbonitrile
CID 19115139
5-(4-Butylcyclohexanecarbonyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115177
6-Hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115269
6-Hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115270

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile (CID 19116072) is 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C(C)C)c(O)n(CC(C)C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is PDVKXWDBDYAKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8(2)7-17-14(19)11(6-16)10(5)12(15(17)20)13(18)9(3)4/h8-9,20H,7H2,1-5H3.
What are the key properties of 6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.23, 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-(2-methylpropanoyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).