3-hydroxy-5-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)benzamide

HCID 67487146

Notes Reactions

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Basic information

Standard SMILES: COCC(C)Oc1cc(O)cc(C(=O)Nc2cnc(C)cn2)c1
InChIKey: VJHDZHRTSDCDCX-UHFFFAOYSA-N
Molecular formula: C16H19N3O4
Average molar mass: 317.34 g/mol

Names & identifiers

Preferred name: 3-hydroxy-5-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)benzamide
IUPAC: 3-hydroxy-5-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)benzamide

Names & synonyms

SCHEMBL2660380

Database identifiers

PubChem CID: 67487146

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 93.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 382

Related reactions

7 records

New reaction record

HRID 114652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 305540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 314264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 662844As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 957798As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1574074As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2341194As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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