2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

C22H20N4O — CID 109177129

IUPAC2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C22H20N4O/c1-14-9-15(2)21(16(3)10-14)26-22(27)18-7-8-24-20(12-18)25-19-6-4-5-17(11-19)13-23/h4-12H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCSOYSOCFOYYIRW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.87
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (PubChem CID 109177129) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
PubChem CID109177129
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C22H20N4O/c1-14-9-15(2)21(16(3)10-14)26-22(27)18-7-8-24-20(12-18)25-19-6-4-5-17(11-19)13-23/h4-12H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCSOYSOCFOYYIRW-UHFFFAOYSA-N
XLogP4.87
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (CID 109177129) is 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is Cc1cc(C)c(NC(=O)c2ccnc(Nc3cccc(C#N)c3)c2)c(C)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The InChIKey is CSOYSOCFOYYIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-9-15(2)21(16(3)10-14)26-22(27)18-7-8-24-20(12-18)25-19-6-4-5-17(11-19)13-23/h4-12H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).