N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide

C20H15F4N5O — CID 145152845

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2=NC=CNC2NCc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H15F4N5O/c21-14-4-1-12(2-5-14)11-28-18-17(26-7-8-27-18)19(30)29-15-6-3-13(10-25)16(9-15)20(22,23)24/h1-9,18,27-28H,11H2,(H,29,30)
InChIKeyKKVFCZOEONXYBP-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.29
Rot. Bonds5

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide (PubChem CID 145152845) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide
PubChem CID145152845
Molecular FormulaC20H15F4N5O
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2=NC=CNC2NCc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H15F4N5O/c21-14-4-1-12(2-5-14)11-28-18-17(26-7-8-27-18)19(30)29-15-6-3-13(10-25)16(9-15)20(22,23)24/h1-9,18,27-28H,11H2,(H,29,30)
InChIKeyKKVFCZOEONXYBP-UHFFFAOYSA-N
XLogP3.29
TPSA89.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide 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

4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 10363082
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide
CID 11495449
N-(4-(3-[[4-Cyano-3-(trifluoromethyl)phenyl](2,2,2-trifluoroethyl)amino]propyl}phenyl)acetamide
CID 11546736
1-(4-Fluoro-phenyl)-4-methyl-2-oxo-imidazolidine-4-carboxylic acid (4-cyano-3-trifluoromethyl-phenyl)-amide
CID 11632838
4-[4-(butylcarbamoylamino)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 16037806
1-[4-[4-Cyano-3-(trifluoromethyl)anilino]butyl]-3-(4-fluorophenyl)urea
CID 18753317
1-[2-(4-Cyano-3-trifluoromethylanilino)-1,1-dimethylethyl]-3-(4-fluorophenyl)urea
CID 18753334
4-[[1-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 24754246
4-[[1-[3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]piperidin-4-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 90831505
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)propanamide
CID 90909334
1-[4-Cyano-3-(fluoromethyl)phenyl]-3-[4-cyano-3-(trifluoromethyl)phenyl]urea
CID 121259698
1,3-bis(4-Cyano-3-(trifluoromethyl)phenyl)urea
CID 121260000

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide (CID 145152845) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide is N#Cc1ccc(NC(=O)C2=NC=CNC2NCc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide?
The InChIKey is KKVFCZOEONXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O/c21-14-4-1-12(2-5-14)11-28-18-17(26-7-8-27-18)19(30)29-15-6-3-13(10-25)16(9-15)20(22,23)24/h1-9,18,27-28H,11H2,(H,29,30).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylamino]-1,2-dihydropyrazine-3-carboxamide is sourced from PubChem (CID 145152845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).