1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide

C13H16F3N3O2 — CID 172741515

IUPAC1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(F)(F)F)nc1N1CCCC1C(N)=O
InChIInChI=1S/C13H16F3N3O2/c1-8-4-5-10(21-7-13(14,15)16)18-12(8)19-6-2-3-9(19)11(17)20/h4-5,9H,2-3,6-7H2,1H3,(H2,17,20)
InChIKeyJDUZRLXCYLMNHK-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.79
Rot. Bonds4

About 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide

1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 172741515) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID172741515
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(OCC(F)(F)F)nc1N1CCCC1C(N)=O
InChIInChI=1S/C13H16F3N3O2/c1-8-4-5-10(21-7-13(14,15)16)18-12(8)19-6-2-3-9(19)11(17)20/h4-5,9H,2-3,6-7H2,1H3,(H2,17,20)
InChIKeyJDUZRLXCYLMNHK-UHFFFAOYSA-N
XLogP1.79
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 172741515) is 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide is Cc1ccc(OCC(F)(F)F)nc1N1CCCC1C(N)=O.
What is the InChIKey of 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is JDUZRLXCYLMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-8-4-5-10(21-7-13(14,15)16)18-12(8)19-6-2-3-9(19)11(17)20/h4-5,9H,2-3,6-7H2,1H3,(H2,17,20).
What are the key properties of 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide?
1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 172741515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).