N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide

C20H19N2O2+ — CID 162659038

IUPACN-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-10-6-5-9-18(19)20(23)21-17-11-13-22(14-12-17)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/p+1
InChIKeyIREHYTJTOYRHRA-UHFFFAOYSA-O
MW319.38 g/mol
LogP3.28
Rot. Bonds5

About N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide

N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide (PubChem CID 162659038) has the molecular formula C20H19N2O2+ and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
PubChem CID162659038
Molecular FormulaC20H19N2O2+
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC NameN-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-19-10-6-5-9-18(19)20(23)21-17-11-13-22(14-12-17)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/p+1
InChIKeyIREHYTJTOYRHRA-UHFFFAOYSA-O
XLogP3.28
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-(1-benzylpyridin-1-ium-4-yl)acetamide
CID 21235965
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
CID 162652521
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide?
The IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide (CID 162659038) is N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc[n+](Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide?
The InChIKey is IREHYTJTOYRHRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-10-6-5-9-18(19)20(23)21-17-11-13-22(14-12-17)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/p+1.
What are the key properties of N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide?
N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide has a molecular weight of 319.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide is sourced from PubChem (CID 162659038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).