N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide

C32H51F3N6O4 — CID 170632543

About N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide

N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide (PubChem CID 170632543) has the molecular formula C32H51F3N6O4 and a molecular weight of 640.79 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide
• PubChem CID: 170632543
• Molecular Formula: C32H51F3N6O4
• Molecular Weight: 640.79 g/mol
• Exact Mass: 640.39
• IUPAC Name: N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide
• SMILES: CC.CC(C)(C)CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C.CC(C)N1CCc2[nH]c(=O)c(CC(C#N)NC=O)cc2C1.NC(=O)C(F)(F)F
• InChI: InChI=1S/C15H20N4O2.C13H23NO.C2H2F3NO.C2H6/c1-10(2)19-4-3-14-12(8-19)5-11(15(21)18-14)6-13(7-16)17-9-20;1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;3-2(4,5)1(6)7;1-2/h5,9-10,13H,3-4,6,8H2,1-2H3,(H,17,20)(H,18,21);9-10H,6-8H2,1-5H3;(H2,6,7);1-2H3/t;9-,10+
• InChIKey: MLSVGYVCKWPYSE-TUWIKMJASA-N
• XLogP: 3.92
• TPSA: 152.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.79
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
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 N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide?

The IUPAC name of N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide (CID 170632543) is N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide?

The canonical SMILES for N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide is CC.CC(C)(C)CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C.CC(C)N1CCc2[nH]c(=O)c(CC(C#N)NC=O)cc2C1.NC(=O)C(F)(F)F.

What is the InChIKey of N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide?

The InChIKey is MLSVGYVCKWPYSE-TUWIKMJASA-N. The full InChI is InChI=1S/C15H20N4O2.C13H23NO.C2H2F3NO.C2H6/c1-10(2)19-4-3-14-12(8-19)5-11(15(21)18-14)6-13(7-16)17-9-20;1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;3-2(4,5)1(6)7;1-2/h5,9-10,13H,3-4,6,8H2,1-2H3,(H,17,20)(H,18,21);9-10H,6-8H2,1-5H3;(H2,6,7);1-2H3/t;9-,10+;;.

What are the key properties of N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide?

N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide has a molecular weight of 640.79 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(2-oxo-6-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethyl]formamide;1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethylbutan-1-one;ethane;2,2,2-trifluoroacetamide is sourced from PubChem (CID 170632543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).