N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide

C18H13F3N3O+ — CID 166006262

IUPACN-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(N[n+]1ccncc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)16-6-4-13(5-7-16)14-2-1-3-15(12-14)17(25)23-24-10-8-22-9-11-24/h1-12H/p+1
InChIKeyGWCXDISBJMEVDS-UHFFFAOYSA-O
MW344.32 g/mol
LogP3.44
Rot. Bonds3

About N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide

N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 166006262) has the molecular formula C18H13F3N3O+ and a molecular weight of 344.32 g/mol. Its IUPAC name is N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID166006262
Molecular FormulaC18H13F3N3O+
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(N[n+]1ccncc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)16-6-4-13(5-7-16)14-2-1-3-15(12-14)17(25)23-24-10-8-22-9-11-24/h1-12H/p+1
InChIKeyGWCXDISBJMEVDS-UHFFFAOYSA-O
XLogP3.44
TPSA45.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide 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

N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide
CID 135023904
N'-(4-pyridin-4-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 58858267
4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 58858285
N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 58858339
N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
CID 58858343
N'-(4-pyridin-3-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
CID 58858361
3-(4-fluorophenyl)-N'-(6-fluoro-3-pyridinyl)benzohydrazide
CID 117941210
3-fluoro-N'-(6-fluoro-3-pyridinyl)-4-phenylbenzohydrazide
CID 117941338
4-(4-fluorophenyl)-N'-(6-fluoro-3-pyridinyl)benzohydrazide
CID 117941372
4-fluoro-N'-(6-fluoro-3-pyridinyl)-3-phenylbenzohydrazide
CID 117941439
N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 162767908
N-pyridin-1-ium-1-yl-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 162767922

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide (CID 166006262) is N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide is O=C(N[n+]1ccncc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GWCXDISBJMEVDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H12F3N3O/c19-18(20,21)16-6-4-13(5-7-16)14-2-1-3-15(12-14)17(25)23-24-10-8-22-9-11-24/h1-12H/p+1.
What are the key properties of N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide?
N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 344.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).