N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide

C27H25N3O2 — CID 25218547

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1
InChIInChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32)
InChIKeyIGISGCSZIPPMKX-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.56
Rot. Bonds7

About N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide

N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide (PubChem CID 25218547) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide
PubChem CID25218547
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1
InChIInChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32)
InChIKeyIGISGCSZIPPMKX-UHFFFAOYSA-N
XLogP5.56
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.56
H-Bond Donors ≤ 53
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-[(1-pyridin-4-ylethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide (CID 25218547) is N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide is CC(NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1)c1ccncc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide?
The InChIKey is IGISGCSZIPPMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(1-pyridin-4-ylethylamino)methyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 5.56, 7 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-[(1-pyridin-4-ylethylamino)methyl]benzamide is sourced from PubChem (CID 25218547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).