N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide

C27H23N2O2+ — CID 4178019

IUPACN-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccccc1
InChIInChI=1S/C27H22N2O2/c30-26(28-19-21-7-3-1-4-8-21)20-29-17-15-25(16-18-29)27(31)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-18H,19-20H2/p+1
InChIKeyWCKMULLNWHVUIY-UHFFFAOYSA-O
MW407.49 g/mol
LogP4.19
Rot. Bonds7

About N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide

N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide (PubChem CID 4178019) has the molecular formula C27H23N2O2+ and a molecular weight of 407.49 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
PubChem CID4178019
Molecular FormulaC27H23N2O2+
Molecular Weight407.49 g/mol
Exact Mass407.18
IUPAC NameN-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccccc1
InChIInChI=1S/C27H22N2O2/c30-26(28-19-21-7-3-1-4-8-21)20-29-17-15-25(16-18-29)27(31)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-18H,19-20H2/p+1
InChIKeyWCKMULLNWHVUIY-UHFFFAOYSA-O
XLogP4.19
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.19
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-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013
1-(2-amino-2-oxoethyl)-N-benzylpyridin-1-ium-4-carboxamide chloride
CID 146051594
2-(4-benzylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
CID 44723848
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
phenyl-(4-phenylphenyl)methanone
CID 155775877
2-(4-phenylpyridin-1-ium-1-yl)-N-[2-[2-[2-[2-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 22889790
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide (CID 4178019) is N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide is O=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The InChIKey is WCKMULLNWHVUIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H22N2O2/c30-26(28-19-21-7-3-1-4-8-21)20-29-17-15-25(16-18-29)27(31)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-18H,19-20H2/p+1.
What are the key properties of N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide is sourced from PubChem (CID 4178019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).