4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

C24H25N3O2 — CID 109047675

IUPAC4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-10-12-21(13-11-20)27-23(29)19-8-6-18(7-9-19)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyVCBISFWTVLXDBO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds5

About 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide

4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047675) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047675
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-10-12-21(13-11-20)27-23(29)19-8-6-18(7-9-19)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyVCBISFWTVLXDBO-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-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

4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide (CID 109047675) is 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is VCBISFWTVLXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)20-10-12-21(13-11-20)27-23(29)19-8-6-18(7-9-19)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).