(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H25F6N3O7 — CID 155842193

About (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155842193) has the molecular formula C23H25F6N3O7 and a molecular weight of 569.46 g/mol. Its IUPAC name is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155842193
• Molecular Formula: C23H25F6N3O7
• Molecular Weight: 569.46 g/mol
• Exact Mass: 569.16
• IUPAC Name: (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H23N3O3.2C2HF3O2/c1-13-16(3-2-6-20-13)21-19(23)17-9-15-4-7-22(11-18(15)25-17)10-14-5-8-24-12-14;2*3-2(4,5)1(6)7/h2-3,5-6,8,12,15,17-18H,4,7,9-11H2,1H3,(H,21,23);2*(H,6,7)/t15-,17+,18-;;/m0../s1
• InChIKey: YEEGKLUOJGTMFQ-DUWHWJALSA-N
• XLogP: 3.87
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.46
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155842193) is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)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,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is YEEGKLUOJGTMFQ-DUWHWJALSA-N. The full InChI is InChI=1S/C19H23N3O3.2C2HF3O2/c1-13-16(3-2-6-20-13)21-19(23)17-9-15-4-7-22(11-18(15)25-17)10-14-5-8-24-12-14;2*3-2(4,5)1(6)7/h2-3,5-6,8,12,15,17-18H,4,7,9-11H2,1H3,(H,21,23);2*(H,6,7)/t15-,17+,18-;;/m0../s1.

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

(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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 569.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-(2-methyl-3-pyridinyl)-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 155842193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).