5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C21H19N5O — CID 109200559

IUPAC5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-23-20)24-16-5-3-15(13-22)4-6-16/h3-12,14,24H,1-2H3,(H,25,27)
InChIKeyUFZVXHXLILNPMS-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109200559) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109200559
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-23-20)24-16-5-3-15(13-22)4-6-16/h3-12,14,24H,1-2H3,(H,25,27)
InChIKeyUFZVXHXLILNPMS-UHFFFAOYSA-N
XLogP4.02
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109200559) is 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(Nc3ccc(C#N)cc3)cn2)cc1.
What is the InChIKey of 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is UFZVXHXLILNPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(2)19-10-7-17(8-11-19)25-21(27)20-12-9-18(14-23-20)24-16-5-3-15(13-22)4-6-16/h3-12,14,24H,1-2H3,(H,25,27).
What are the key properties of 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109200559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).