2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide

C18H21F3N4O3 — CID 174811038

About 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide

2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide (PubChem CID 174811038) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
• PubChem CID: 174811038
• Molecular Formula: C18H21F3N4O3
• Molecular Weight: 398.39 g/mol
• Exact Mass: 398.16
• IUPAC Name: 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
• SMILES: CC(=O)NC1(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)C=NC=C(C)N1
• InChI: InChI=1S/C18H21F3N4O3/c1-11-8-22-9-17(24-11,25-13(3)26)16(27)23-12(2)14-5-4-6-15(7-14)28-10-18(19,20)21/h4-9,12,24H,10H2,1-3H3,(H,23,27)(H,25,26)
• InChIKey: KAAZSRLJNMZZGJ-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 91.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.39
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?

The IUPAC name of 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide (CID 174811038) is 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide.

What is the SMILES notation for 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?

The canonical SMILES for 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide is CC(=O)NC1(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)C=NC=C(C)N1.

What is the InChIKey of 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?

The InChIKey is KAAZSRLJNMZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-11-8-22-9-17(24-11,25-13(3)26)16(27)23-12(2)14-5-4-6-15(7-14)28-10-18(19,20)21/h4-9,12,24H,10H2,1-3H3,(H,23,27)(H,25,26).

What are the key properties of 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide?

2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 174811038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).