3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide

C21H21N2O3+ — CID 170360798

IUPAC3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)NCc2cccc[n+]2OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-20-12-4-3-11-19(20)16-8-7-9-17(14-16)21(24)22-15-18-10-5-6-13-23(18)26-2/h3-14H,15H2,1-2H3/p+1
InChIKeyWXGYLRYJMFGERX-UHFFFAOYSA-O
MW349.41 g/mol
LogP2.64
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide

3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide (PubChem CID 170360798) has the molecular formula C21H21N2O3+ and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide
PubChem CID170360798
Molecular FormulaC21H21N2O3+
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide
SMILESCOc1ccccc1-c1cccc(C(=O)NCc2cccc[n+]2OC)c1
InChIInChI=1S/C21H20N2O3/c1-25-20-12-4-3-11-19(20)16-8-7-9-17(14-16)21(24)22-15-18-10-5-6-13-23(18)26-2/h3-14H,15H2,1-2H3/p+1
InChIKeyWXGYLRYJMFGERX-UHFFFAOYSA-O
XLogP2.64
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 50950516
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1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
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N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
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3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxyphenyl)benzamide
CID 74233285
N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
CID 173203978
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide (CID 170360798) is 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide is COc1ccccc1-c1cccc(C(=O)NCc2cccc[n+]2OC)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide?
The InChIKey is WXGYLRYJMFGERX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20N2O3/c1-25-20-12-4-3-11-19(20)16-8-7-9-17(14-16)21(24)22-15-18-10-5-6-13-23(18)26-2/h3-14H,15H2,1-2H3/p+1.
What are the key properties of 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide?
3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(1-methoxypyridin-1-ium-2-yl)methyl]benzamide is sourced from PubChem (CID 170360798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).