2-phenyl-N-pyridin-1-ium-1-ylacetamide

C13H13N2O+ — CID 22748938

IUPAC2-phenyl-N-pyridin-1-ium-1-ylacetamide
SMILESO=C(Cc1ccccc1)N[n+]1ccccc1
InChIInChI=1S/C13H12N2O/c16-13(11-12-7-3-1-4-8-12)14-15-9-5-2-6-10-15/h1-10H,11H2/p+1
InChIKeyNUDYGISHSOAIIK-UHFFFAOYSA-O
MW213.26 g/mol
LogP1.29
Rot. Bonds3

About 2-phenyl-N-pyridin-1-ium-1-ylacetamide

2-phenyl-N-pyridin-1-ium-1-ylacetamide (PubChem CID 22748938) has the molecular formula C13H13N2O+ and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound Name2-phenyl-N-pyridin-1-ium-1-ylacetamide
PubChem CID22748938
Molecular FormulaC13H13N2O+
Molecular Weight213.26 g/mol
Exact Mass213.10
IUPAC Name2-phenyl-N-pyridin-1-ium-1-ylacetamide
SMILESO=C(Cc1ccccc1)N[n+]1ccccc1
InChIInChI=1S/C13H12N2O/c16-13(11-12-7-3-1-4-8-12)14-15-9-5-2-6-10-15/h1-10H,11H2/p+1
InChIKeyNUDYGISHSOAIIK-UHFFFAOYSA-O
XLogP1.29
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-pyridin-1-ium-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
benzene;1-phenylpropan-2-one
CID 21430852
1,3-diphenyl(213C)propan-2-one
CID 100945080
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
2-phenylacetic acid;propanedioic acid
CID 159349511
N-(2-phenylethyl)pyridin-1-ium-1-amine
CID 135357594
2-phenylacetic acid;silver
CID 50912513
tris(2-phenylacetic acid);rhodium
CID 11168112
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
CID 102505387
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-1-ium-1-ylacetamide?
The IUPAC name of 2-phenyl-N-pyridin-1-ium-1-ylacetamide (CID 22748938) is 2-phenyl-N-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for 2-phenyl-N-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for 2-phenyl-N-pyridin-1-ium-1-ylacetamide is O=C(Cc1ccccc1)N[n+]1ccccc1.
What is the InChIKey of 2-phenyl-N-pyridin-1-ium-1-ylacetamide?
The InChIKey is NUDYGISHSOAIIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N2O/c16-13(11-12-7-3-1-4-8-12)14-15-9-5-2-6-10-15/h1-10H,11H2/p+1.
What are the key properties of 2-phenyl-N-pyridin-1-ium-1-ylacetamide?
2-phenyl-N-pyridin-1-ium-1-ylacetamide has a molecular weight of 213.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 22748938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).