4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

C11H13F3N4O — CID 156837543

IUPAC4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14/h4-7,16H,2-3H2,1H3,(H,17,18,19)
InChIKeyGONDIDUYXGXCEZ-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.43
Rot. Bonds2

About 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 156837543) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID156837543
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14/h4-7,16H,2-3H2,1H3,(H,17,18,19)
InChIKeyGONDIDUYXGXCEZ-UHFFFAOYSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (CID 156837543) is 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is CC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is GONDIDUYXGXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14/h4-7,16H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).