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

C27H25N3O2 — CID 68724179

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2cccnc2)cc1
InChIInChI=1S/C27H25N3O2/c31-26-13-12-24(22-6-2-1-3-7-22)17-25(26)30-27(32)23-10-8-21(9-11-23)19-29-16-14-20-5-4-15-28-18-20/h1-13,15,17-18,29,31H,14,16,19H2,(H,30,32)
InChIKeyQDIHCKDMTZABNW-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.04
Rot. Bonds8

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

N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide (PubChem CID 68724179) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide
PubChem CID68724179
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2cccnc2)cc1
InChIInChI=1S/C27H25N3O2/c31-26-13-12-24(22-6-2-1-3-7-22)17-25(26)30-27(32)23-10-8-21(9-11-23)19-29-16-14-20-5-4-15-28-18-20/h1-13,15,17-18,29,31H,14,16,19H2,(H,30,32)
InChIKeyQDIHCKDMTZABNW-UHFFFAOYSA-N
XLogP5.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.04
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide (CID 68724179) is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCCc2cccnc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide?
The InChIKey is QDIHCKDMTZABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26-13-12-24(22-6-2-1-3-7-22)17-25(26)30-27(32)23-10-8-21(9-11-23)19-29-16-14-20-5-4-15-28-18-20/h1-13,15,17-18,29,31H,14,16,19H2,(H,30,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-3-ylethylamino)methyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.04, 8 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-[(2-pyridin-3-ylethylamino)methyl]benzamide is sourced from PubChem (CID 68724179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).