N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide

C26H23N3O2 — CID 59627337

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1
InChIInChI=1S/C26H23N3O2/c1-29(23-13-15-27-16-14-23)18-19-7-9-21(10-8-19)26(31)28-24-17-22(11-12-25(24)30)20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,28,31)
InChIKeyZLOHMUBFEMBXKD-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.34
Rot. Bonds6

About N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide (PubChem CID 59627337) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide
PubChem CID59627337
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1
InChIInChI=1S/C26H23N3O2/c1-29(23-13-15-27-16-14-23)18-19-7-9-21(10-8-19)26(31)28-24-17-22(11-12-25(24)30)20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,28,31)
InChIKeyZLOHMUBFEMBXKD-UHFFFAOYSA-N
XLogP5.34
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(pyridin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide (CID 59627337) is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide is CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide?
The InChIKey is ZLOHMUBFEMBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-29(23-13-15-27-16-14-23)18-19-7-9-21(10-8-19)26(31)28-24-17-22(11-12-25(24)30)20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,28,31).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 59627337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).