3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide

C13H11F3N4O — CID 71664333

IUPAC3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-3-1-2-8(6-9)7-20-12-10(11(17)21)18-4-5-19-12/h1-6H,7H2,(H2,17,21)(H,19,20)
InChIKeyQNKGWODBWLLNKY-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.21
Rot. Bonds4

About 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide

3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide (PubChem CID 71664333) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
PubChem CID71664333
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-3-1-2-8(6-9)7-20-12-10(11(17)21)18-4-5-19-12/h1-6H,7H2,(H2,17,21)(H,19,20)
InChIKeyQNKGWODBWLLNKY-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide (CID 71664333) is 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide is NC(=O)c1nccnc1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide?
The InChIKey is QNKGWODBWLLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)9-3-1-2-8(6-9)7-20-12-10(11(17)21)18-4-5-19-12/h1-6H,7H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide?
3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 71664333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).