5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

C21H18N4O — CID 109198246

IUPAC5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O/c1-14-5-3-6-15(2)20(14)25-21(26)19-10-9-18(13-23-19)24-17-8-4-7-16(11-17)12-22/h3-11,13,24H,1-2H3,(H,25,26)
InChIKeyUWKTYOHBFOLWHA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds4

About 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109198246) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109198246
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H18N4O/c1-14-5-3-6-15(2)20(14)25-21(26)19-10-9-18(13-23-19)24-17-8-4-7-16(11-17)12-22/h3-11,13,24H,1-2H3,(H,25,26)
InChIKeyUWKTYOHBFOLWHA-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-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
5-(3-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188238
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200767
N-(2,6-dimethylphenyl)-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109198225
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
5-(3-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198726

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (CID 109198246) is 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is UWKTYOHBFOLWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-5-3-6-15(2)20(14)25-21(26)19-10-9-18(13-23-19)24-17-8-4-7-16(11-17)12-22/h3-11,13,24H,1-2H3,(H,25,26).
What are the key properties of 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-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 5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).