[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

C15H14F2N4O4 — CID 55424165

IUPAC[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCC(OC(=O)c1nccnc1N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H14F2N4O4/c1-8(24-14(23)11-12(18)20-7-6-19-11)13(22)21-9-4-2-3-5-10(9)25-15(16)17/h2-8,15H,1H3,(H2,18,20)(H,21,22)
InChIKeyMZNTZDREGZYNJJ-UHFFFAOYSA-N
MW352.30 g/mol
LogP1.84
Rot. Bonds6

About [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 55424165) has the molecular formula C15H14F2N4O4 and a molecular weight of 352.30 g/mol. Its IUPAC name is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID55424165
Molecular FormulaC15H14F2N4O4
Molecular Weight352.30 g/mol
Exact Mass352.10
IUPAC Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCC(OC(=O)c1nccnc1N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H14F2N4O4/c1-8(24-14(23)11-12(18)20-7-6-19-11)13(22)21-9-4-2-3-5-10(9)25-15(16)17/h2-8,15H,1H3,(H2,18,20)(H,21,22)
InChIKeyMZNTZDREGZYNJJ-UHFFFAOYSA-N
XLogP1.84
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate 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

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 46618220
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 46625048
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 46630049
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11938895
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938894
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641324
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate
CID 55425996
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 7469249

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (CID 55424165) is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is CC(OC(=O)c1nccnc1N)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is MZNTZDREGZYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O4/c1-8(24-14(23)11-12(18)20-7-6-19-11)13(22)21-9-4-2-3-5-10(9)25-15(16)17/h2-8,15H,1H3,(H2,18,20)(H,21,22).
What are the key properties of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 352.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 55424165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).