5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide

C22H18N4O2 — CID 109105328

IUPAC5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N4O2/c1-15-6-8-16(9-7-15)12-25-21(27)18-10-19(14-24-13-18)22(28)26-20-5-3-2-4-17(20)11-23/h2-10,13-14H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeySTABNHXMMPXSMR-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.44
Rot. Bonds5

About 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide

5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105328) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105328
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C22H18N4O2/c1-15-6-8-16(9-7-15)12-25-21(27)18-10-19(14-24-13-18)22(28)26-20-5-3-2-4-17(20)11-23/h2-10,13-14H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeySTABNHXMMPXSMR-UHFFFAOYSA-N
XLogP3.44
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249
1-N-[(4-chlorophenyl)methyl]-3-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109054791
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
5-N-(2,6-difluorophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105333
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105328) is 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is Cc1ccc(CNC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)cc1.
What is the InChIKey of 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is STABNHXMMPXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-6-8-16(9-7-15)12-25-21(27)18-10-19(14-24-13-18)22(28)26-20-5-3-2-4-17(20)11-23/h2-10,13-14H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).