1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide

C27H40F3N5O6 — CID 170632161

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide (PubChem CID 170632161) has the molecular formula C27H40F3N5O6 and a molecular weight of 587.64 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide
• PubChem CID: 170632161
• Molecular Formula: C27H40F3N5O6
• Molecular Weight: 587.64 g/mol
• Exact Mass: 587.29
• IUPAC Name: 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide
• SMILES: CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.NC(=O)C(Cc1cc2c([nH]c1=O)CCOC2)NC=O.NC(=O)C(F)(F)F
• InChI: InChI=1S/C13H23NO.C12H15N3O4.C2H2F3NO/c1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;13-11(17)10(14-6-16)4-7-3-8-5-19-2-1-9(8)15-12(7)18;3-2(4,5)1(6)7/h9-10H,6-8H2,1-5H3;3,6,10H,1-2,4-5H2,(H2,13,17)(H,14,16)(H,15,18);(H2,6,7)
• InChIKey: CGWBJCAXMSDKKM-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 177.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.64
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide?

The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide (CID 170632161) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide.

What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide?

The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide is CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.NC(=O)C(Cc1cc2c([nH]c1=O)CCOC2)NC=O.NC(=O)C(F)(F)F.

What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide?

The InChIKey is CGWBJCAXMSDKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C12H15N3O4.C2H2F3NO/c1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;13-11(17)10(14-6-16)4-7-3-8-5-19-2-1-9(8)15-12(7)18;3-2(4,5)1(6)7/h9-10H,6-8H2,1-5H3;3,6,10H,1-2,4-5H2,(H2,13,17)(H,14,16)(H,15,18);(H2,6,7).

What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide?

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide has a molecular weight of 587.64 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2-formamido-3-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-3-yl)propanamide;2,2,2-trifluoroacetamide is sourced from PubChem (CID 170632161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).