3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

C20H19F3N4O2 — CID 59688393

About 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59688393) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 59688393
• Molecular Formula: C20H19F3N4O2
• Molecular Weight: 404.39 g/mol
• Exact Mass: 404.15
• IUPAC Name: 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NC2c1ccccn1
• InChI: InChI=1S/C20H19F3N4O2/c21-20(22,23)13-4-3-5-14(12-13)25-18(29)27-10-7-19(8-11-27)16(26-17(19)28)15-6-1-2-9-24-15/h1-6,9,12,16H,7-8,10-11H2,(H,25,29)(H,26,28)
• InChIKey: NEQIXZVHAUMUFG-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.39
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59688393) is 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NC2c1ccccn1.

What is the InChIKey of 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is NEQIXZVHAUMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)13-4-3-5-14(12-13)25-18(29)27-10-7-19(8-11-27)16(26-17(19)28)15-6-1-2-9-24-15/h1-6,9,12,16H,7-8,10-11H2,(H,25,29)(H,26,28).

What are the key properties of 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?

3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-oxo-1-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59688393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).