2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C13H11F3N4O — CID 2526110

IUPAC2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)c1cnccn1
InChIInChI=1S/C13H11F3N4O/c1-20(10-6-17-4-5-18-10)7-11(21)19-9-3-2-8(14)12(15)13(9)16/h2-6H,7H2,1H3,(H,19,21)
InChIKeySHYSKKCFOIQYQU-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.97
Rot. Bonds4

About 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2526110) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2526110
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)c1cnccn1
InChIInChI=1S/C13H11F3N4O/c1-20(10-6-17-4-5-18-10)7-11(21)19-9-3-2-8(14)12(15)13(9)16/h2-6H,7H2,1H3,(H,19,21)
InChIKeySHYSKKCFOIQYQU-UHFFFAOYSA-N
XLogP1.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2526110) is 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)c1cnccn1.
What is the InChIKey of 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SHYSKKCFOIQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c1-20(10-6-17-4-5-18-10)7-11(21)19-9-3-2-8(14)12(15)13(9)16/h2-6H,7H2,1H3,(H,19,21).
What are the key properties of 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 296.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-yl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2526110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).