N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide

C25H21N2O+ — CID 162652521

IUPACN-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
SMILESO=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O/c28-25(23-13-11-22(12-14-23)21-9-5-2-6-10-21)26-24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-18H,19H2/p+1
InChIKeyGMJSWLOYSXUOJV-UHFFFAOYSA-O
MW365.46 g/mol
LogP4.94
Rot. Bonds5

About N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide

N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide (PubChem CID 162652521) has the molecular formula C25H21N2O+ and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
PubChem CID162652521
Molecular FormulaC25H21N2O+
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC NameN-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
SMILESO=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O/c28-25(23-13-11-22(12-14-23)21-9-5-2-6-10-21)26-24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-18H,19H2/p+1
InChIKeyGMJSWLOYSXUOJV-UHFFFAOYSA-O
XLogP4.94
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
2-N,6-N-bis(1-benzylpyridin-1-ium-4-yl)pyridine-2,6-dicarboxamide
CID 135336241
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
CID 162659038
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide?
The IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide (CID 162652521) is N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide is O=C(Nc1cc[n+](Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide?
The InChIKey is GMJSWLOYSXUOJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H20N2O/c28-25(23-13-11-22(12-14-23)21-9-5-2-6-10-21)26-24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-18H,19H2/p+1.
What are the key properties of N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide?
N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide has a molecular weight of 365.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 162652521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).