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

C21H18N4O — CID 109188238

IUPAC5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O/c1-15-5-2-3-7-17(15)13-24-21(26)20-10-9-19(14-23-20)25-18-8-4-6-16(11-18)12-22/h2-11,14,25H,13H2,1H3,(H,24,26)
InChIKeyZSIMAWHFFNLNLM-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.94
Rot. Bonds5

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

5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188238) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188238
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O/c1-15-5-2-3-7-17(15)13-24-21(26)20-10-9-19(14-23-20)25-18-8-4-6-16(11-18)12-22/h2-11,14,25H,13H2,1H3,(H,24,26)
InChIKeyZSIMAWHFFNLNLM-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

Analyze 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
5-(4-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232074
5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193546
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188238) is 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1ccc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZSIMAWHFFNLNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-5-2-3-7-17(15)13-24-21(26)20-10-9-19(14-23-20)25-18-8-4-6-16(11-18)12-22/h2-11,14,25H,13H2,1H3,(H,24,26).
What are the key properties of 5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-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-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).