11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

C18H27FN4O2 — CID 134070416

About 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide

11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (PubChem CID 134070416) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

• Compound Name: 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
• PubChem CID: 134070416
• Molecular Formula: C18H27FN4O2
• Molecular Weight: 350.44 g/mol
• Exact Mass: 350.21
• IUPAC Name: 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
• SMILES: CC(C)NC(=O)N1CCCC2(COCCN(c3ncccc3F)C2)C1
• InChI: InChI=1S/C18H27FN4O2/c1-14(2)21-17(24)23-8-4-6-18(12-23)11-22(9-10-25-13-18)16-15(19)5-3-7-20-16/h3,5,7,14H,4,6,8-13H2,1-2H3,(H,21,24)
• InChIKey: GFNKUUDGQZKTJL-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.44
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?

The IUPAC name of 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide (CID 134070416) is 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide.

What is the SMILES notation for 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?

The canonical SMILES for 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is CC(C)NC(=O)N1CCCC2(COCCN(c3ncccc3F)C2)C1.

What is the InChIKey of 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?

The InChIKey is GFNKUUDGQZKTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-14(2)21-17(24)23-8-4-6-18(12-23)11-22(9-10-25-13-18)16-15(19)5-3-7-20-16/h3,5,7,14H,4,6,8-13H2,1-2H3,(H,21,24).

What are the key properties of 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide?

11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-fluoro-2-pyridinyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 134070416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).