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

C15H20N2O3 — CID 19115403

IUPAC1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-6-7-17-14(19)11(8-16)10(4)12(15(17)20)13(18)9(2)3/h9,20H,5-7H2,1-4H3
InChIKeyVEYAATOJVKQPKI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.37
Rot. Bonds5

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

1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19115403) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19115403
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-6-7-17-14(19)11(8-16)10(4)12(15(17)20)13(18)9(2)3/h9,20H,5-7H2,1-4H3
InChIKeyVEYAATOJVKQPKI-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

Analyze 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile (CID 19115403) is 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is CCCCn1c(O)c(C(=O)C(C)C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is VEYAATOJVKQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-6-7-17-14(19)11(8-16)10(4)12(15(17)20)13(18)9(2)3/h9,20H,5-7H2,1-4H3.
What are the key properties of 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile?
1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-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 1-butyl-6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).