4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide

C22H18N4O2 — CID 109086241

IUPAC4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H18N4O2/c1-26(15-16-6-3-2-4-7-16)22(28)18-10-11-24-20(13-18)21(27)25-19-9-5-8-17(12-19)14-23/h2-13H,15H2,1H3,(H,25,27)
InChIKeyXUNSUCPYSJXMOB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.48
Rot. Bonds5

About 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109086241) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
PubChem CID109086241
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H18N4O2/c1-26(15-16-6-3-2-4-7-16)22(28)18-10-11-24-20(13-18)21(27)25-19-9-5-8-17(12-19)14-23/h2-13H,15H2,1H3,(H,25,27)
InChIKeyXUNSUCPYSJXMOB-UHFFFAOYSA-N
XLogP3.48
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109086315
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
2-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109175172
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide (CID 109086241) is 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is XUNSUCPYSJXMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26(15-16-6-3-2-4-7-16)22(28)18-10-11-24-20(13-18)21(27)25-19-9-5-8-17(12-19)14-23/h2-13H,15H2,1H3,(H,25,27).
What are the key properties of 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).