5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C21H18N4O — CID 109232074

IUPAC5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H18N4O/c1-15-4-2-3-5-17(15)13-24-21(26)18-10-20(14-23-12-18)25-19-8-6-16(11-22)7-9-19/h2-10,12,14,25H,13H2,1H3,(H,24,26)
InChIKeyNQFXPMYWOAHBIY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.94
Rot. Bonds5

About 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109232074) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109232074
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H18N4O/c1-15-4-2-3-5-17(15)13-24-21(26)18-10-20(14-23-12-18)25-19-8-6-16(11-22)7-9-19/h2-10,12,14,25H,13H2,1H3,(H,24,26)
InChIKeyNQFXPMYWOAHBIY-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetamidoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232047
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232079
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109234637
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109246141
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-N-[4-(dimethylamino)phenyl]-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105155
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 109232074) is 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NQFXPMYWOAHBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-4-2-3-5-17(15)13-24-21(26)18-10-20(14-23-12-18)25-19-8-6-16(11-22)7-9-19/h2-10,12,14,25H,13H2,1H3,(H,24,26).
What are the key properties of 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109232074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).