N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C19H19F6N3O2S — CID 130245383

About N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 130245383) has the molecular formula C19H19F6N3O2S and a molecular weight of 467.44 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
• PubChem CID: 130245383
• Molecular Formula: C19H19F6N3O2S
• Molecular Weight: 467.44 g/mol
• Exact Mass: 467.11
• IUPAC Name: N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(OCC(F)(F)F)s1
• InChI: InChI=1S/C19H19F6N3O2S/c1-11(14-3-5-16(31-14)30-10-18(20,21)22)27-17(29)12-6-7-28(9-12)15-4-2-13(8-26-15)19(23,24)25/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,27,29)/t11-,12?/m1/s1
• InChIKey: IQTVCTIBGLASBV-JHJMLUEUSA-N
• XLogP: 4.81
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.44
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 130245383) is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(OCC(F)(F)F)s1.

What is the InChIKey of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?

The InChIKey is IQTVCTIBGLASBV-JHJMLUEUSA-N. The full InChI is InChI=1S/C19H19F6N3O2S/c1-11(14-3-5-16(31-14)30-10-18(20,21)22)27-17(29)12-6-7-28(9-12)15-4-2-13(8-26-15)19(23,24)25/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,27,29)/t11-,12?/m1/s1.

What are the key properties of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 130245383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).