4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

C21H19N3O2 — CID 109047754

IUPAC4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-2-8-19(9-3-15)24-21(26)18-6-4-17(5-7-18)20(25)23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyOVBCQIHBZFEOQV-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.57
Rot. Bonds5

About 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047754) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047754
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-2-8-19(9-3-15)24-21(26)18-6-4-17(5-7-18)20(25)23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyOVBCQIHBZFEOQV-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(4-methylphenyl)-1-N-(pyridin-4-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-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (CID 109047754) is 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is Cc1ccc(NC(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is OVBCQIHBZFEOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-2-8-19(9-3-15)24-21(26)18-6-4-17(5-7-18)20(25)23-14-16-10-12-22-13-11-16/h2-13H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).