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

C16H22N2O3 — CID 19115404

IUPAC1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C16H22N2O3/c1-5-6-7-18-15(20)12(9-17)11(4)14(16(18)21)13(19)8-10(2)3/h10,21H,5-8H2,1-4H3
InChIKeyHAIHTQCLUHGOOS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.76
Rot. Bonds6

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

1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19115404) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
PubChem CID19115404
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O
InChIInChI=1S/C16H22N2O3/c1-5-6-7-18-15(20)12(9-17)11(4)14(16(18)21)13(19)8-10(2)3/h10,21H,5-8H2,1-4H3
InChIKeyHAIHTQCLUHGOOS-UHFFFAOYSA-N
XLogP2.76
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-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-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile (CID 19115404) is 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is CCCCn1c(O)c(C(=O)CC(C)C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is HAIHTQCLUHGOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-6-7-18-15(20)12(9-17)11(4)14(16(18)21)13(19)8-10(2)3/h10,21H,5-8H2,1-4H3.
What are the key properties of 1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile?
1-butyl-6-hydroxy-4-methyl-5-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 290.36 g/mol, XLogP of 2.76, 6 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-(3-methylbutanoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).