N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide

C15H14F2N4O2 — CID 24982777

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnccn1
InChIInChI=1S/C15H14F2N4O2/c1-2-21(15(23)12-8-18-6-7-19-12)9-13(22)20-14-10(16)4-3-5-11(14)17/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyFSPJZBYWYAUVGU-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide (PubChem CID 24982777) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
PubChem CID24982777
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnccn1
InChIInChI=1S/C15H14F2N4O2/c1-2-21(15(23)12-8-18-6-7-19-12)9-13(22)20-14-10(16)4-3-5-11(14)17/h3-8H,2,9H2,1H3,(H,20,22)
InChIKeyFSPJZBYWYAUVGU-UHFFFAOYSA-N
XLogP1.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide (CID 24982777) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnccn1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide?
The InChIKey is FSPJZBYWYAUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-2-21(15(23)12-8-18-6-7-19-12)9-13(22)20-14-10(16)4-3-5-11(14)17/h3-8H,2,9H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 24982777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).