N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide

C28H27N3O2 — CID 68726934

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccncc2)cc1
InChIInChI=1S/C28H27N3O2/c32-27-13-12-25(23-6-2-1-3-7-23)19-26(27)31-28(33)24-10-8-22(9-11-24)20-30-16-4-5-21-14-17-29-18-15-21/h1-3,6-15,17-19,30,32H,4-5,16,20H2,(H,31,33)
InChIKeyYSJBWHBYAVHAIM-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.43
Rot. Bonds9

About N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide (PubChem CID 68726934) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide
PubChem CID68726934
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccncc2)cc1
InChIInChI=1S/C28H27N3O2/c32-27-13-12-25(23-6-2-1-3-7-23)19-26(27)31-28(33)24-10-8-22(9-11-24)20-30-16-4-5-21-14-17-29-18-15-21/h1-3,6-15,17-19,30,32H,4-5,16,20H2,(H,31,33)
InChIKeyYSJBWHBYAVHAIM-UHFFFAOYSA-N
XLogP5.43
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide (CID 68726934) is N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCCc2ccncc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide?
The InChIKey is YSJBWHBYAVHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-27-13-12-25(23-6-2-1-3-7-23)19-26(27)31-28(33)24-10-8-22(9-11-24)20-30-16-4-5-21-14-17-29-18-15-21/h1-3,6-15,17-19,30,32H,4-5,16,20H2,(H,31,33).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 5.43, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyridin-4-ylpropylamino)methyl]benzamide is sourced from PubChem (CID 68726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).