N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide

C21H20F3N3O2 — CID 67108409

About N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide

N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide (PubChem CID 67108409) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide
• PubChem CID: 67108409
• Molecular Formula: C21H20F3N3O2
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.15
• IUPAC Name: N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide
• SMILES: O=C(N[C@@H]1CC(F)(F)C[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccccn1
• InChI: InChI=1S/C21H20F3N3O2/c22-14-4-3-5-16(10-14)27-9-7-20(19(27)29)11-15(12-21(23,24)13-20)26-18(28)17-6-1-2-8-25-17/h1-6,8,10,15H,7,9,11-13H2,(H,26,28)/t15-,20-/m0/s1
• InChIKey: AWYQYNUUCQKRCA-YWZLYKJASA-N
• XLogP: 3.56
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide (CID 67108409) is N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CC(F)(F)C[C@]2(CCN(c3cccc(F)c3)C2=O)C1)c1ccccn1.

What is the InChIKey of N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide?

The InChIKey is AWYQYNUUCQKRCA-YWZLYKJASA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-14-4-3-5-16(10-14)27-9-7-20(19(27)29)11-15(12-21(23,24)13-20)26-18(28)17-6-1-2-8-25-17/h1-6,8,10,15H,7,9,11-13H2,(H,26,28)/t15-,20-/m0/s1.

What are the key properties of N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide?

N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67108409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).