4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide

C11H13F3N4O — CID 123493224

IUPAC4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide
SMILESCc1cncc(NCCNC(=O)C=CC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-8-6-15-7-9(18-8)16-4-5-17-10(19)2-3-11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeySXWCZZPPSKMYGO-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.43
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide

4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide (PubChem CID 123493224) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide
PubChem CID123493224
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide
SMILESCc1cncc(NCCNC(=O)C=CC(F)(F)F)n1
InChIInChI=1S/C11H13F3N4O/c1-8-6-15-7-9(18-8)16-4-5-17-10(19)2-3-11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19)
InChIKeySXWCZZPPSKMYGO-UHFFFAOYSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide (CID 123493224) is 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide is Cc1cncc(NCCNC(=O)C=CC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide?
The InChIKey is SXWCZZPPSKMYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-8-6-15-7-9(18-8)16-4-5-17-10(19)2-3-11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide?
4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide has a molecular weight of 274.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]but-2-enamide is sourced from PubChem (CID 123493224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).