N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide

C19H17N2O+ — CID 22890003

IUPACN-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(20-18-9-5-2-6-10-18)15-21-13-11-17(12-14-21)16-7-3-1-4-8-16/h1-14H,15H2/p+1
InChIKeyGGCIZJDRKKHGDE-UHFFFAOYSA-O
MW289.36 g/mol
LogP3.28
Rot. Bonds4

About N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide

N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 22890003) has the molecular formula C19H17N2O+ and a molecular weight of 289.36 g/mol. Its IUPAC name is N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID22890003
Molecular FormulaC19H17N2O+
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C19H16N2O/c22-19(20-18-9-5-2-6-10-18)15-21-13-11-17(12-14-21)16-7-3-1-4-8-16/h1-14H,15H2/p+1
InChIKeyGGCIZJDRKKHGDE-UHFFFAOYSA-O
XLogP3.28
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 ≤ 53.28
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

2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013
2-(4-methylpyridin-1-ium-1-yl)-N-[4-[4-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]phenyl]phenyl]acetamide dibromide
CID 156583193
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
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
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
CID 19993656
1-phenyl-3-[(2-pyridin-1-ium-1-ylacetyl)amino]thiourea
CID 3864523
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876596

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide (CID 22890003) is N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide is O=C(C[n+]1ccc(-c2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is GGCIZJDRKKHGDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O/c22-19(20-18-9-5-2-6-10-18)15-21-13-11-17(12-14-21)16-7-3-1-4-8-16/h1-14H,15H2/p+1.
What are the key properties of N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide?
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 22890003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).