[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide

C25H20N4 — CID 177396742

IUPAC[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide
SMILESC(=C/c1cnc([N-][n+]2ccccc2)c(/C=C/c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H20N4/c1-4-10-21(11-5-1)14-16-23-20-26-25(28-29-18-8-3-9-19-29)24(27-23)17-15-22-12-6-2-7-13-22/h1-20H/b16-14+,17-15+
InChIKeyYFWMOJQLBHVVPO-YXLFCKQPSA-N
MW376.46 g/mol
LogP5.57
Rot. Bonds6

About [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide

[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide (PubChem CID 177396742) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide.

Molecular Properties

Compound Name[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide
PubChem CID177396742
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide
SMILESC(=C/c1cnc([N-][n+]2ccccc2)c(/C=C/c2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H20N4/c1-4-10-21(11-5-1)14-16-23-20-26-25(28-29-18-8-3-9-19-29)24(27-23)17-15-22-12-6-2-7-13-22/h1-20H/b16-14+,17-15+
InChIKeyYFWMOJQLBHVVPO-YXLFCKQPSA-N
XLogP5.57
TPSA43.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-2-phenylethenyl]pyrazine-2,3-dicarbonitrile
CID 15357442
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
CID 66776126
5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 142817182
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[(E)-2-phenylethenyl]pyrrolo[1,2-a]pyrazine
CID 15662093
5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 89409031
4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
CID 2959542
2-methyl-4-[(E)-2-phenylethenyl]pyrimidine
CID 13302355
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
stilbene azide
CID 159769295

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide?
The IUPAC name of [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide (CID 177396742) is [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide.
What is the SMILES notation for [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide?
The canonical SMILES for [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide is C(=C/c1cnc([N-][n+]2ccccc2)c(/C=C/c2ccccc2)n1)\c1ccccc1.
What is the InChIKey of [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide?
The InChIKey is YFWMOJQLBHVVPO-YXLFCKQPSA-N. The full InChI is InChI=1S/C25H20N4/c1-4-10-21(11-5-1)14-16-23-20-26-25(28-29-18-8-3-9-19-29)24(27-23)17-15-22-12-6-2-7-13-22/h1-20H/b16-14+,17-15+.
What are the key properties of [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide?
[3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide has a molecular weight of 376.46 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-pyridin-1-ium-1-ylazanide is sourced from PubChem (CID 177396742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).