2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile

C17H14N4 — CID 57249125

IUPAC2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile
SMILESCN1C#CN(c2ncccc2C#N)C(c2ccccc2)C1
InChIInChI=1S/C17H14N4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,13H2,1H3
InChIKeyMEUKJSMWKPCLPN-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.36
Rot. Bonds2

About 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile

2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile (PubChem CID 57249125) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile
PubChem CID57249125
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile
SMILESCN1C#CN(c2ncccc2C#N)C(c2ccccc2)C1
InChIInChI=1S/C17H14N4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,13H2,1H3
InChIKeyMEUKJSMWKPCLPN-UHFFFAOYSA-N
XLogP2.36
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile (CID 57249125) is 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile is CN1C#CN(c2ncccc2C#N)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is MEUKJSMWKPCLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,13H2,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile?
2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-5,6-didehydro-2,3-dihydropyrazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 57249125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).