N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide

C26H26N4O2 — CID 59627351

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnn(C)c1
InChIInChI=1S/C26H26N4O2/c1-29(17-20-15-27-30(2)18-20)16-19-8-10-22(11-9-19)26(32)28-24-14-23(12-13-25(24)31)21-6-4-3-5-7-21/h3-15,18,31H,16-17H2,1-2H3,(H,28,32)
InChIKeyXJCWPUGCQLBYAN-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.68
Rot. Bonds7

About N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide (PubChem CID 59627351) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
PubChem CID59627351
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnn(C)c1
InChIInChI=1S/C26H26N4O2/c1-29(17-20-15-27-30(2)18-20)16-19-8-10-22(11-9-19)26(32)28-24-14-23(12-13-25(24)31)21-6-4-3-5-7-21/h3-15,18,31H,16-17H2,1-2H3,(H,28,32)
InChIKeyXJCWPUGCQLBYAN-UHFFFAOYSA-N
XLogP4.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.68
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-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide (CID 59627351) is N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide is CN(Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)Cc1cnn(C)c1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
The InChIKey is XJCWPUGCQLBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29(17-20-15-27-30(2)18-20)16-19-8-10-22(11-9-19)26(32)28-24-14-23(12-13-25(24)31)21-6-4-3-5-7-21/h3-15,18,31H,16-17H2,1-2H3,(H,28,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.68, 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-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 59627351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).