2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide

C24H25N3O2 — CID 109079334

IUPAC2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-2-3-15-26-23(28)20-14-16-25-22(17-20)24(29)27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,26,28)
InChIKeyYFTSXOSTWUEJAD-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.46
Rot. Bonds8

About 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide

2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109079334) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109079334
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-2-3-15-26-23(28)20-14-16-25-22(17-20)24(29)27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,26,28)
InChIKeyYFTSXOSTWUEJAD-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-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-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-N-methyl-2-N-phenyl-4-N-propylpyridine-2,4-dicarboxamide
CID 109077708
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087759
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide (CID 109079334) is 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is YFTSXOSTWUEJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-3-15-26-23(28)20-14-16-25-22(17-20)24(29)27(21-12-8-5-9-13-21)18-19-10-6-4-7-11-19/h4-14,16-17H,2-3,15,18H2,1H3,(H,26,28).
What are the key properties of 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butyl-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).