2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109079471

IUPAC2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C20H25N3O2/c1-4-5-11-22-20(25)18-13-15(10-12-21-18)19(24)23-17-9-7-6-8-16(17)14(2)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQGLORVLOQNYQFR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.99
Rot. Bonds7

About 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide

2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079471) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109079471
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1
InChIInChI=1S/C20H25N3O2/c1-4-5-11-22-20(25)18-13-15(10-12-21-18)19(24)23-17-9-7-6-8-16(17)14(2)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQGLORVLOQNYQFR-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-N-butyl-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109079504
2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
2-N-methyl-2-N-phenyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091478
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
4-N-cyclohexyl-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081436

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide (CID 109079471) is 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is QGLORVLOQNYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-11-22-20(25)18-13-15(10-12-21-18)19(24)23-17-9-7-6-8-16(17)14(2)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).