N-[4-(5-Oxo-4,5-dihydropyrazin-2-yl)phenyl]pyridine-4-carboxamide

HCID 13853576

Notes Reactions

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Basic information

CAS: 89541-68-4
Standard SMILES: O=C(Nc1ccc(-c2c[nH]c(=O)cn2)cc1)c1ccncc1
InChIKey: SGMASNFSMINHOS-UHFFFAOYSA-N
Molecular formula: C16H12N4O2
Average molar mass: 292.29 g/mol
Monoisotopic mass: 292.09602564

Names & identifiers

Preferred name: N-[4-(5-Oxo-4,5-dihydropyrazin-2-yl)phenyl]pyridine-4-carboxamide
IUPAC: N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]pyridine-4-carboxamide

Names & synonyms

89541-68-4N-(4-(5-Oxo-4,5-dihydropyrazin-2-yl)phenyl)isonicotinamideSCHEMBL7396608DTXSID70551251SGMASNFSMINHOS-UHFFFAOYSA-NN-[4-(5-Oxo-4,5-dihydropyrazin-2-yl)phenyl]pyridine-4-carboxamide5-(4-Isonicotinamidophenyl)-2(1H)-pyrazinone

Database identifiers

CAS: 89541-68-4
PubChem CID: 13853576
DTXSID: DTXSID70551251

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 486

Related reactions

3 records

New reaction record

HRID 151701As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 542462As productuspto-grants-1987_04

HRID 637498As productuspto-grants-1985_12

Compound notes

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