6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C21H17F5N4O3 — CID 155352419

IUPAC6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H17F5N4O3/c1-32-20-18(30-17(11-28-20)29-15-9-13(22)8-14(23)10-15)19(31)27-7-6-12-2-4-16(5-3-12)33-21(24,25)26/h2-5,8-11H,6-7H2,1H3,(H,27,31)(H,29,30)
InChIKeyLCUDGLASGLUCAA-UHFFFAOYSA-N
MW468.38 g/mol
LogP4.38
Rot. Bonds8

About 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 155352419) has the molecular formula C21H17F5N4O3 and a molecular weight of 468.38 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID155352419
Molecular FormulaC21H17F5N4O3
Molecular Weight468.38 g/mol
Exact Mass468.12
IUPAC Name6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H17F5N4O3/c1-32-20-18(30-17(11-28-20)29-15-9-13(22)8-14(23)10-15)19(31)27-7-6-12-2-4-16(5-3-12)33-21(24,25)26/h2-5,8-11H,6-7H2,1H3,(H,27,31)(H,29,30)
InChIKeyLCUDGLASGLUCAA-UHFFFAOYSA-N
XLogP4.38
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-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

3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 155352273
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(methoxymethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78882053
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
6-(3-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372240
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 155352419) is 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is COc1ncc(Nc2cc(F)cc(F)c2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is LCUDGLASGLUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N4O3/c1-32-20-18(30-17(11-28-20)29-15-9-13(22)8-14(23)10-15)19(31)27-7-6-12-2-4-16(5-3-12)33-21(24,25)26/h2-5,8-11H,6-7H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 468.38 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155352419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).