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

C26H23N3O2 — CID 25159049

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25-13-12-23(21-6-2-1-3-7-21)15-24(25)29-26(31)22-10-8-19(9-11-22)16-28-18-20-5-4-14-27-17-20/h1-15,17,28,30H,16,18H2,(H,29,31)
InChIKeyJYIJWNFSCMYZSG-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.00
Rot. Bonds7

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

N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide (PubChem CID 25159049) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide
PubChem CID25159049
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C26H23N3O2/c30-25-13-12-23(21-6-2-1-3-7-21)15-24(25)29-26(31)22-10-8-19(9-11-22)16-28-18-20-5-4-14-27-17-20/h1-15,17,28,30H,16,18H2,(H,29,31)
InChIKeyJYIJWNFSCMYZSG-UHFFFAOYSA-N
XLogP5.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 55.00
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-[(pyridin-3-ylmethylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide (CID 25159049) is N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide?
The InChIKey is JYIJWNFSCMYZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25-13-12-23(21-6-2-1-3-7-21)15-24(25)29-26(31)22-10-8-19(9-11-22)16-28-18-20-5-4-14-27-17-20/h1-15,17,28,30H,16,18H2,(H,29,31).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-3-ylmethylamino)methyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.00, 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-[(pyridin-3-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 25159049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).