8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C21H23FN4O3 — CID 134076517

About 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 134076517) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

• Compound Name: 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
• PubChem CID: 134076517
• Molecular Formula: C21H23FN4O3
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.18
• IUPAC Name: 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
• SMILES: O=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1
• InChI: InChI=1S/C21H23FN4O3/c22-15-3-5-16(6-4-15)25-20(28)26-12-9-21(10-13-26)8-7-18(29-21)19(27)24-17-2-1-11-23-14-17/h1-6,11,14,18H,7-10,12-13H2,(H,24,27)(H,25,28)
• InChIKey: QKTWYEQBCHVMSB-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?

The IUPAC name of 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 134076517) is 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

What is the SMILES notation for 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?

The canonical SMILES for 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is O=C(Nc1cccnc1)C1CCC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1.

What is the InChIKey of 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?

The InChIKey is QKTWYEQBCHVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-15-3-5-16(6-4-15)25-20(28)26-12-9-21(10-13-26)8-7-18(29-21)19(27)24-17-2-1-11-23-14-17/h1-6,11,14,18H,7-10,12-13H2,(H,24,27)(H,25,28).

What are the key properties of 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?

8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 134076517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).