1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile

C21H25N3O2 — CID 24809687

IUPAC1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(-c2ccc(N3CCOCC3)cc2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O2/c1-16(2)7-9-24-10-8-19(20(15-22)21(24)25)17-3-5-18(6-4-17)23-11-13-26-14-12-23/h3-6,8,10,16H,7,9,11-14H2,1-2H3
InChIKeyWWYDDROIYKELRJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds5

About 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile

1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 24809687) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID24809687
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCC(C)CCn1ccc(-c2ccc(N3CCOCC3)cc2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O2/c1-16(2)7-9-24-10-8-19(20(15-22)21(24)25)17-3-5-18(6-4-17)23-11-13-26-14-12-23/h3-6,8,10,16H,7,9,11-14H2,1-2H3
InChIKeyWWYDDROIYKELRJ-UHFFFAOYSA-N
XLogP3.27
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-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-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile (CID 24809687) is 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile is CC(C)CCn1ccc(-c2ccc(N3CCOCC3)cc2)c(C#N)c1=O.
What is the InChIKey of 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is WWYDDROIYKELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)7-9-24-10-8-19(20(15-22)21(24)25)17-3-5-18(6-4-17)23-11-13-26-14-12-23/h3-6,8,10,16H,7,9,11-14H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile?
1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-(4-morpholin-4-ylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 24809687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).