N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide

C21H18N4O — CID 109242887

IUPACN-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H18N4O/c1-14-3-4-15(2)20(9-14)24-19-10-17(12-23-13-19)21(26)25-18-7-5-16(11-22)6-8-18/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyDILJEOQKBJSQAN-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

About N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide

N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109242887) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109242887
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H18N4O/c1-14-3-4-15(2)20(9-14)24-19-10-17(12-23-13-19)21(26)25-18-7-5-16(11-22)6-8-18/h3-10,12-13,24H,1-2H3,(H,25,26)
InChIKeyDILJEOQKBJSQAN-UHFFFAOYSA-N
XLogP4.57
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide (CID 109242887) is N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(C)c(Nc2cncc(C(=O)Nc3ccc(C#N)cc3)c2)c1.
What is the InChIKey of N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is DILJEOQKBJSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-3-4-15(2)20(9-14)24-19-10-17(12-23-13-19)21(26)25-18-7-5-16(11-22)6-8-18/h3-10,12-13,24H,1-2H3,(H,25,26).
What are the key properties of N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).