N-(2-benzylpyridin-1-ium-1-yl)benzamide

C19H17N2O+ — CID 134841341

IUPACN-(2-benzylpyridin-1-ium-1-yl)benzamide
SMILESO=C(N[n+]1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(17-11-5-2-6-12-17)20-21-14-8-7-13-18(21)15-16-9-3-1-4-10-16/h1-14H,15H2/p+1
InChIKeyDILFUOZDYLOBAM-UHFFFAOYSA-O
MW289.36 g/mol
LogP2.95
Rot. Bonds4

About N-(2-benzylpyridin-1-ium-1-yl)benzamide

N-(2-benzylpyridin-1-ium-1-yl)benzamide (PubChem CID 134841341) has the molecular formula C19H17N2O+ and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-benzylpyridin-1-ium-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzylpyridin-1-ium-1-yl)benzamide
PubChem CID134841341
Molecular FormulaC19H17N2O+
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-(2-benzylpyridin-1-ium-1-yl)benzamide
SMILESO=C(N[n+]1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(17-11-5-2-6-12-17)20-21-14-8-7-13-18(21)15-16-9-3-1-4-10-16/h1-14H,15H2/p+1
InChIKeyDILFUOZDYLOBAM-UHFFFAOYSA-O
XLogP2.95
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.95
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

methyl 2-[(1-benzamidopyridin-1-ium-2-yl)methyl]benzoate
CID 177460817
2-(2-benzylpyridin-1-ium-1-yl)-1-phenylethanone bromide
CID 12747341
N-(2,4-dimethylpyridin-1-ium-1-yl)benzamide
CID 10987951
N-methylbenzamide
CID 11954
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]benzamide
CID 177427764
N-(4-methyl-2-phenylpyridin-1-ium-1-yl)benzamide
CID 135024198
2-(2-benzylpyridin-1-ium-1-yl)-1-pyrrolidin-1-ylethanone
CID 22220847
4-benzyl-N-ethylbenzamide
CID 134120069
2-phenyl-N-pyridin-1-ium-1-ylacetamide
CID 22748938
Lithium benzoate, 99%
CID 57451198
(Z)-N-[2-[(4-methoxycarbonylphenyl)methyl]pyridin-1-ium-1-yl]benzenecarboximidate
CID 24862453
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyridin-1-ium-1-yl)benzamide?
The IUPAC name of N-(2-benzylpyridin-1-ium-1-yl)benzamide (CID 134841341) is N-(2-benzylpyridin-1-ium-1-yl)benzamide.
What is the SMILES notation for N-(2-benzylpyridin-1-ium-1-yl)benzamide?
The canonical SMILES for N-(2-benzylpyridin-1-ium-1-yl)benzamide is O=C(N[n+]1ccccc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzylpyridin-1-ium-1-yl)benzamide?
The InChIKey is DILFUOZDYLOBAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O/c22-19(17-11-5-2-6-12-17)20-21-14-8-7-13-18(21)15-16-9-3-1-4-10-16/h1-14H,15H2/p+1.
What are the key properties of N-(2-benzylpyridin-1-ium-1-yl)benzamide?
N-(2-benzylpyridin-1-ium-1-yl)benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyridin-1-ium-1-yl)benzamide is sourced from PubChem (CID 134841341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).