Molecular Details
DICL_CP_0311442
- N-phenylpyridine-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311442
PubChem CID
Molecular Formula
C12H10N2O Molecular Weight
198.225 g/mol
Synonyms/Alias
[N-Phenylnicotinamide; NICOTINANILIDE; 1752-96-1; N-phenylpyridine-3-carboxamide; 3-Pyridinecarboxamide; N-phenyl-; Nicotinic Anilide; Pyridine-3-carboxy-anilide; NSC 108206; N-Phenyl-3-pyridinecarbox...
InChI Key
NYQXIOZBHWFCBU-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
IUPAC Name
N-phenylpyridine-3-carboxamide
CAS Number
2803922-67-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-4.4831 0.4836 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8753 0.1178 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 0.001...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-4
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
18 °C
Test Method
Binding assay
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
2
logP
2.3339
Complexity
58.6322
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2