N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide

C21H20N3O2+ — CID 46906808

IUPACN-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-16-7-5-9-18(13-16)23-21(26)17-8-6-10-19(14-17)22-20(25)15-24-11-3-2-4-12-24/h2-14H,15H2,1H3,(H-,22,23,25,26)/p+1
InChIKeyPJXJIWIIGKPYFH-UHFFFAOYSA-O
MW346.41 g/mol
LogP3.17
Rot. Bonds5

About N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide

N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide (PubChem CID 46906808) has the molecular formula C21H20N3O2+ and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
PubChem CID46906808
Molecular FormulaC21H20N3O2+
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC NameN-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O2/c1-16-7-5-9-18(13-16)23-21(26)17-8-6-10-19(14-17)22-20(25)15-24-11-3-2-4-12-24/h2-14H,15H2,1H3,(H-,22,23,25,26)/p+1
InChIKeyPJXJIWIIGKPYFH-UHFFFAOYSA-O
XLogP3.17
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide (CID 46906808) is N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide?
The InChIKey is PJXJIWIIGKPYFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19N3O2/c1-16-7-5-9-18(13-16)23-21(26)17-8-6-10-19(14-17)22-20(25)15-24-11-3-2-4-12-24/h2-14H,15H2,1H3,(H-,22,23,25,26)/p+1.
What are the key properties of N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide?
N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide has a molecular weight of 346.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 46906808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).