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

C21H18N4O — CID 109188237

IUPAC5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C21H18N4O/c1-15-6-2-3-8-17(15)13-24-21(26)20-11-10-18(14-23-20)25-19-9-5-4-7-16(19)12-22/h2-11,14,25H,13H2,1H3,(H,24,26)
InChIKeyZCAQSEUZRVYTPJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.94
Rot. Bonds5

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

5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188237) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188237
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C21H18N4O/c1-15-6-2-3-8-17(15)13-24-21(26)20-11-10-18(14-23-20)25-19-9-5-4-7-16(19)12-22/h2-11,14,25H,13H2,1H3,(H,24,26)
InChIKeyZCAQSEUZRVYTPJ-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-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188237) is 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)cn1.
What is the InChIKey of 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZCAQSEUZRVYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-6-2-3-8-17(15)13-24-21(26)20-11-10-18(14-23-20)25-19-9-5-4-7-16(19)12-22/h2-11,14,25H,13H2,1H3,(H,24,26).
What are the key properties of 5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
5-(2-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-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).