6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile

C15H20N2O3 — CID 19115270

IUPAC6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-6-17-14(19)11(8-16)10(4)13(15(17)20)12(18)7-9(2)3/h9,20H,5-7H2,1-4H3
InChIKeyPYGXQEZQYXJJCI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.37
Rot. Bonds5

About 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile

6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 19115270) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID19115270
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-6-17-14(19)11(8-16)10(4)13(15(17)20)12(18)7-9(2)3/h9,20H,5-7H2,1-4H3
InChIKeyPYGXQEZQYXJJCI-UHFFFAOYSA-N
XLogP2.37
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-2-oxo-5-pentanoyl-1-propylpyridine-3-carbonitrile
CID 19115271
5-(4-Butylcyclohexanecarbonyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115310
1-Butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
CID 19115403

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile (CID 19115270) is 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is PYGXQEZQYXJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-6-17-14(19)11(8-16)10(4)13(15(17)20)12(18)7-9(2)3/h9,20H,5-7H2,1-4H3.
What are the key properties of 6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 2.37, 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)-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).