N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H25F6N3O7 — CID 155854554

About N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155854554) has the molecular formula C23H25F6N3O7 and a molecular weight of 569.46 g/mol. Its IUPAC name is N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155854554
• Molecular Formula: C23H25F6N3O7
• Molecular Weight: 569.46 g/mol
• Exact Mass: 569.16
• IUPAC Name: N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccoc3)C2)C1)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H23N3O3.2C2HF3O2/c23-18(16-2-1-6-20-11-16)21-17-4-9-25-19(10-17)5-7-22(14-19)12-15-3-8-24-13-15;2*3-2(4,5)1(6)7/h1-3,6,8,11,13,17H,4-5,7,9-10,12,14H2,(H,21,23);2*(H,6,7)/t17-,19-;;/m1../s1
• InChIKey: ICKGVENCRQHEMS-WGMYLSDTSA-N
• XLogP: 3.49
• 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	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155854554) is N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccoc3)C2)C1)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ICKGVENCRQHEMS-WGMYLSDTSA-N. The full InChI is InChI=1S/C19H23N3O3.2C2HF3O2/c23-18(16-2-1-6-20-11-16)21-17-4-9-25-19(10-17)5-7-22(14-19)12-15-3-8-24-13-15;2*3-2(4,5)1(6)7/h1-3,6,8,11,13,17H,4-5,7,9-10,12,14H2,(H,21,23);2*(H,6,7)/t17-,19-;;/m1../s1.

What are the key properties of N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 569.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R,9R)-2-(furan-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155854554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).