3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

C22H18N4O2 — CID 109108491

IUPAC3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H18N4O2/c1-2-16-7-3-4-9-20(16)26-22(28)18-11-17(13-24-14-18)21(27)25-19-8-5-6-15(10-19)12-23/h3-11,13-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyDNXQEBWSUNDTCP-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.02
Rot. Bonds5

About 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108491) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108491
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C22H18N4O2/c1-2-16-7-3-4-9-20(16)26-22(28)18-11-17(13-24-14-18)21(27)25-19-8-5-6-15(10-19)12-23/h3-11,13-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyDNXQEBWSUNDTCP-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107206
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (CID 109108491) is 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is CCc1ccccc1NC(=O)c1cncc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is DNXQEBWSUNDTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-2-16-7-3-4-9-20(16)26-22(28)18-11-17(13-24-14-18)21(27)25-19-8-5-6-15(10-19)12-23/h3-11,13-14H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).