6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide

C25H20N6O2 — CID 118715342

IUPAC6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCC#N
InChIInChI=1S/C25H20N6O2/c1-16-10-19(14-28)11-17(2)24(16)33-22-12-23(31-20-6-4-18(13-27)5-7-20)30-15-21(22)25(32)29-9-3-8-26/h4-7,10-12,15H,3,9H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyXCFXZKFPTNIUGK-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.62
Rot. Bonds7

About 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide

6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide (PubChem CID 118715342) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide
PubChem CID118715342
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCC#N
InChIInChI=1S/C25H20N6O2/c1-16-10-19(14-28)11-17(2)24(16)33-22-12-23(31-20-6-4-18(13-27)5-7-20)30-15-21(22)25(32)29-9-3-8-26/h4-7,10-12,15H,3,9H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyXCFXZKFPTNIUGK-UHFFFAOYSA-N
XLogP4.62
TPSA134.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide (CID 118715342) is 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide is Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCC#N.
What is the InChIKey of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide?
The InChIKey is XCFXZKFPTNIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-10-19(14-28)11-17(2)24(16)33-22-12-23(31-20-6-4-18(13-27)5-7-20)30-15-21(22)25(32)29-9-3-8-26/h4-7,10-12,15H,3,9H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide?
6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-N-(2-cyanoethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118715342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).