7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C18H24F2N4O2 — CID 169125654

About 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 169125654) has the molecular formula C18H24F2N4O2 and a molecular weight of 366.41 g/mol. Its IUPAC name is 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
• PubChem CID: 169125654
• Molecular Formula: C18H24F2N4O2
• Molecular Weight: 366.41 g/mol
• Exact Mass: 366.19
• IUPAC Name: 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
• SMILES: O=C(NO)c1cnc2c(c1)CCN(C1CC3(CCCCN3C(F)F)C1)C2
• InChI: InChI=1S/C18H24F2N4O2/c19-17(20)24-5-2-1-4-18(24)8-14(9-18)23-6-3-12-7-13(16(25)22-26)10-21-15(12)11-23/h7,10,14,17,26H,1-6,8-9,11H2,(H,22,25)
• InChIKey: URDFDFRFCMGTCE-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 68.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.41
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?

The IUPAC name of 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 169125654) is 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is O=C(NO)c1cnc2c(c1)CCN(C1CC3(CCCCN3C(F)F)C1)C2.

What is the InChIKey of 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?

The InChIKey is URDFDFRFCMGTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O2/c19-17(20)24-5-2-1-4-18(24)8-14(9-18)23-6-3-12-7-13(16(25)22-26)10-21-15(12)11-23/h7,10,14,17,26H,1-6,8-9,11H2,(H,22,25).

What are the key properties of 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?

7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).