3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide

C13H16F3N3O2 — CID 63139677

IUPAC3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCNC1
InChIInChI=1S/C13H16F3N3O2/c1-12(4-5-17-7-12)11(20)19-9-2-3-10(18-6-9)21-8-13(14,15)16/h2-3,6,17H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyRJSXPDLOBNYULU-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.96
Rot. Bonds4

About 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide

3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 63139677) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID63139677
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCNC1
InChIInChI=1S/C13H16F3N3O2/c1-12(4-5-17-7-12)11(20)19-9-2-3-10(18-6-9)21-8-13(14,15)16/h2-3,6,17H,4-5,7-8H2,1H3,(H,19,20)
InChIKeyRJSXPDLOBNYULU-UHFFFAOYSA-N
XLogP1.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 63139677) is 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCNC1.
What is the InChIKey of 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is RJSXPDLOBNYULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-12(4-5-17-7-12)11(20)19-9-2-3-10(18-6-9)21-8-13(14,15)16/h2-3,6,17H,4-5,7-8H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide?
3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).