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

C29H27N3O2 — CID 59627285

IUPACN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCCC2c2ccccn2)cc1
InChIInChI=1S/C29H27N3O2/c33-28-16-15-24(22-7-2-1-3-8-22)19-26(28)31-29(34)23-13-11-21(12-14-23)20-32-18-6-10-27(32)25-9-4-5-17-30-25/h1-5,7-9,11-17,19,27,33H,6,10,18,20H2,(H,31,34)
InChIKeyVEAJSHAOSHWQCR-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.04
Rot. Bonds6

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

N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide (PubChem CID 59627285) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide
PubChem CID59627285
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCCC2c2ccccn2)cc1
InChIInChI=1S/C29H27N3O2/c33-28-16-15-24(22-7-2-1-3-8-22)19-26(28)31-29(34)23-13-11-21(12-14-23)20-32-18-6-10-27(32)25-9-4-5-17-30-25/h1-5,7-9,11-17,19,27,33H,6,10,18,20H2,(H,31,34)
InChIKeyVEAJSHAOSHWQCR-UHFFFAOYSA-N
XLogP6.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
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-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide (CID 59627285) is N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCCC2c2ccccn2)cc1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VEAJSHAOSHWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28-16-15-24(22-7-2-1-3-8-22)19-26(28)31-29(34)23-13-11-21(12-14-23)20-32-18-6-10-27(32)25-9-4-5-17-30-25/h1-5,7-9,11-17,19,27,33H,6,10,18,20H2,(H,31,34).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide?
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 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-2-ylpyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 59627285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).