N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N3O6 — CID 155863921

About N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155863921) has the molecular formula C19H24F3N3O6 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155863921
• Molecular Formula: C19H24F3N3O6
• Molecular Weight: 447.41 g/mol
• Exact Mass: 447.16
• IUPAC Name: N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccnc3)CO[C@@H]2C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H23N3O4.C2HF3O2/c1-2-23-11-16(21)20-8-14-13(10-24-15(14)9-20)7-19-17(22)12-4-3-5-18-6-12;3-2(4,5)1(6)7/h3-6,13-15H,2,7-11H2,1H3,(H,19,22);(H,6,7)/t13-,14-,15-;/m1./s1
• InChIKey: FLWMAPGXLQHYFN-RFMLDLTKSA-N
• XLogP: 0.95
• TPSA: 118.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.41
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155863921) is N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CCOCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cccnc3)CO[C@@H]2C1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is FLWMAPGXLQHYFN-RFMLDLTKSA-N. The full InChI is InChI=1S/C17H23N3O4.C2HF3O2/c1-2-23-11-16(21)20-8-14-13(10-24-15(14)9-20)7-19-17(22)12-4-3-5-18-6-12;3-2(4,5)1(6)7/h3-6,13-15H,2,7-11H2,1H3,(H,19,22);(H,6,7)/t13-,14-,15-;/m1./s1.

What are the key properties of N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).