N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide

C26H24N4O2 — CID 59627321

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnccn1
InChIInChI=1S/C26H24N4O2/c1-30(18-23-16-27-13-14-28-23)17-19-7-9-21(10-8-19)26(32)29-24-15-22(11-12-25(24)31)20-5-3-2-4-6-20/h2-16,31H,17-18H2,1H3,(H,29,32)
InChIKeyIUODSFYCWWRDIY-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.73
Rot. Bonds7

About N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide (PubChem CID 59627321) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
PubChem CID59627321
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnccn1
InChIInChI=1S/C26H24N4O2/c1-30(18-23-16-27-13-14-28-23)17-19-7-9-21(10-8-19)26(32)29-24-15-22(11-12-25(24)31)20-5-3-2-4-6-20/h2-16,31H,17-18H2,1H3,(H,29,32)
InChIKeyIUODSFYCWWRDIY-UHFFFAOYSA-N
XLogP4.73
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide (CID 59627321) is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide is CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnccn1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is IUODSFYCWWRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30(18-23-16-27-13-14-28-23)17-19-7-9-21(10-8-19)26(32)29-24-15-22(11-12-25(24)31)20-5-3-2-4-6-20/h2-16,31H,17-18H2,1H3,(H,29,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 59627321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).