(2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C25H33F6N3O6 — CID 155828156

About (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

(2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155828156) has the molecular formula C25H33F6N3O6 and a molecular weight of 585.54 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155828156
• Molecular Formula: C25H33F6N3O6
• Molecular Weight: 585.54 g/mol
• Exact Mass: 585.23
• IUPAC Name: (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C3CCCCC3)C[C@H]2O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H31N3O2.2C2HF3O2/c25-21(23-12-9-17-6-4-5-11-22-17)19-14-16-10-13-24(15-20(16)26-19)18-7-2-1-3-8-18;2*3-2(4,5)1(6)7/h4-6,11,16,18-20H,1-3,7-10,12-15H2,(H,23,25);2*(H,6,7)/t16-,19+,20+;;/m0../s1
• InChIKey: RINMMEUGHWGWOY-NCDQRYANSA-N
• XLogP: 3.82
• TPSA: 129.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155828156) is (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C3CCCCC3)C[C@H]2O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is RINMMEUGHWGWOY-NCDQRYANSA-N. The full InChI is InChI=1S/C21H31N3O2.2C2HF3O2/c25-21(23-12-9-17-6-4-5-11-22-17)19-14-16-10-13-24(15-20(16)26-19)18-7-2-1-3-8-18;2*3-2(4,5)1(6)7/h4-6,11,16,18-20H,1-3,7-10,12-15H2,(H,23,25);2*(H,6,7)/t16-,19+,20+;;/m0../s1.

What are the key properties of (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

(2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 585.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3aS,7aS)-6-cyclohexyl-N-(2-pyridin-2-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).