N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide

C26H25FN6O5 — CID 171732706

About N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide

N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide (PubChem CID 171732706) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide.

Molecular Properties

• Compound Name: N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide
• PubChem CID: 171732706
• Molecular Formula: C26H25FN6O5
• Molecular Weight: 520.52 g/mol
• Exact Mass: 520.19
• IUPAC Name: N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide
• SMILES: CN(C(=O)C(=O)Nc1ccc(F)cc1)C(CC1CC1)C(=O)N1CC2(CC1C#N)Oc1cccnc1NC2=O
• InChI: InChI=1S/C26H25FN6O5/c1-32(24(36)22(34)30-17-8-6-16(27)7-9-17)19(11-15-4-5-15)23(35)33-14-26(12-18(33)13-28)25(37)31-21-20(38-26)3-2-10-29-21/h2-3,6-10,15,18-19H,4-5,11-12,14H2,1H3,(H,30,34)(H,29,31,37)
• InChIKey: BWLVSXVZPBHAQU-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 144.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.52
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide?

The IUPAC name of N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide (CID 171732706) is N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide.

What is the SMILES notation for N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide?

The canonical SMILES for N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide is CN(C(=O)C(=O)Nc1ccc(F)cc1)C(CC1CC1)C(=O)N1CC2(CC1C#N)Oc1cccnc1NC2=O.

What is the InChIKey of N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide?

The InChIKey is BWLVSXVZPBHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O5/c1-32(24(36)22(34)30-17-8-6-16(27)7-9-17)19(11-15-4-5-15)23(35)33-14-26(12-18(33)13-28)25(37)31-21-20(38-26)3-2-10-29-21/h2-3,6-10,15,18-19H,4-5,11-12,14H2,1H3,(H,30,34)(H,29,31,37).

What are the key properties of N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide?

N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide has a molecular weight of 520.52 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-(2'-cyano-3-oxospiro[4H-pyrido[3,2-b][1,4]oxazine-2,4'-pyrrolidine]-1'-yl)-3-cyclopropyl-1-oxopropan-2-yl]-N-(4-fluorophenyl)-N'-methyloxamide is sourced from PubChem (CID 171732706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).