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

C25H21N3O2 — CID 25159052

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30)
InChIKeyXZZGBQVBEVJEJT-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.32
Rot. Bonds6

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

N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (PubChem CID 25159052) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
PubChem CID25159052
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30)
InChIKeyXZZGBQVBEVJEJT-UHFFFAOYSA-N
XLogP5.32
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 25155163
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
CID 25159050
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide (CID 25159052) is N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
The InChIKey is XZZGBQVBEVJEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.32, 6 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-4-ylamino)methyl]benzamide is sourced from PubChem (CID 25159052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).