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

C23H22N4O — CID 109243961

IUPAC5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1
InChIInChI=1S/C23H22N4O/c1-3-16-9-7-10-17(4-2)22(16)27-23(28)19-12-20(15-25-14-19)26-21-11-6-5-8-18(21)13-24/h5-12,14-15,26H,3-4H2,1-2H3,(H,27,28)
InChIKeyGOZCVVHLNNHBJK-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.07
Rot. Bonds6

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

5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide (PubChem CID 109243961) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
PubChem CID109243961
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1
InChIInChI=1S/C23H22N4O/c1-3-16-9-7-10-17(4-2)22(16)27-23(28)19-12-20(15-25-14-19)26-21-11-6-5-8-18(21)13-24/h5-12,14-15,26H,3-4H2,1-2H3,(H,27,28)
InChIKeyGOZCVVHLNNHBJK-UHFFFAOYSA-N
XLogP5.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide (CID 109243961) is 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1cncc(Nc2ccccc2C#N)c1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide?
The InChIKey is GOZCVVHLNNHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-16-9-7-10-17(4-2)22(16)27-23(28)19-12-20(15-25-14-19)26-21-11-6-5-8-18(21)13-24/h5-12,14-15,26H,3-4H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide?
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).