4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

C22H21N3O2 — CID 109047086

IUPAC4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)24-15-17-11-13-23-14-12-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyBOABJFFRJIVVRS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.28
Rot. Bonds6

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

4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047086) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047086
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)24-15-17-11-13-23-14-12-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyBOABJFFRJIVVRS-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-benzyl-4-N-methyl-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

N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047745
N'-benzyl-N'-methyl-N-(pyridin-4-ylmethyl)propanediamide
CID 108946043
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
1-N-benzyl-1-N-methyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070440
4-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110950336
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
4-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide;hydroiodide
CID 110950335

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (CID 109047086) is 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is BOABJFFRJIVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)22(27)20-9-7-19(8-10-20)21(26)24-15-17-11-13-23-14-12-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).