5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

C21H18N4O — CID 109243485

IUPAC5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H18N4O/c1-2-15-6-8-18(9-7-15)25-21(26)17-11-20(14-23-13-17)24-19-5-3-4-16(10-19)12-22/h3-11,13-14,24H,2H2,1H3,(H,25,26)
InChIKeyRWGSLVMVGUYENJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.51
Rot. Bonds5

About 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide

5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109243485) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
PubChem CID109243485
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H18N4O/c1-2-15-6-8-18(9-7-15)25-21(26)17-11-20(14-23-13-17)24-19-5-3-4-16(10-19)12-22/h3-11,13-14,24H,2H2,1H3,(H,25,26)
InChIKeyRWGSLVMVGUYENJ-UHFFFAOYSA-N
XLogP4.51
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide (CID 109243485) is 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)cc1.
What is the InChIKey of 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is RWGSLVMVGUYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-15-6-8-18(9-7-15)25-21(26)17-11-20(14-23-13-17)24-19-5-3-4-16(10-19)12-22/h3-11,13-14,24H,2H2,1H3,(H,25,26).
What are the key properties of 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide?
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).