2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide

C29H24N4O — CID 174422864

IUPAC2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide
SMILESCc1cccc(C=Cc2ccccc2C#N)n1.NC(=O)c1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C15H12N2.C14H12N2O/c1-12-5-4-8-15(17-12)10-9-13-6-2-3-7-14(13)11-16;15-14(17)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h2-10H,1H3;1-10H,(H2,15,17)
InChIKeyRIVZULVDHOYRAM-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.78
Rot. Bonds5

About 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide

2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide (PubChem CID 174422864) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide
PubChem CID174422864
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide
SMILESCc1cccc(C=Cc2ccccc2C#N)n1.NC(=O)c1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C15H12N2.C14H12N2O/c1-12-5-4-8-15(17-12)10-9-13-6-2-3-7-14(13)11-16;15-14(17)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h2-10H,1H3;1-10H,(H2,15,17)
InChIKeyRIVZULVDHOYRAM-UHFFFAOYSA-N
XLogP5.78
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide (CID 174422864) is 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide is Cc1cccc(C=Cc2ccccc2C#N)n1.NC(=O)c1cccc(C=Cc2ccccc2)n1.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide?
The InChIKey is RIVZULVDHOYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C14H12N2O/c1-12-5-4-8-15(17-12)10-9-13-6-2-3-7-14(13)11-16;15-14(17)13-8-4-7-12(16-13)10-9-11-5-2-1-3-6-11/h2-10H,1H3;1-10H,(H2,15,17).
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide?
2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)ethenyl]benzonitrile;6-(2-phenylethenyl)pyridine-2-carboxamide is sourced from PubChem (CID 174422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).