2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C31H28F5N5O3 — CID 144928389

About 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 144928389) has the molecular formula C31H28F5N5O3 and a molecular weight of 613.59 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 144928389
• Molecular Formula: C31H28F5N5O3
• Molecular Weight: 613.59 g/mol
• Exact Mass: 613.21
• IUPAC Name: 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C=O)c3)cc12.CNC(C)(C#N)C1CC1
• InChI: InChI=1S/C24H16F5N3O3.C7H12N2/c1-30-22(34)19-17-9-16(13-4-7-18(26)14(8-13)10-33)21(31-11-24(27,28)29)32-23(17)35-20(19)12-2-5-15(25)6-3-12;1-7(5-8,9-2)6-3-4-6/h2-10H,11H2,1H3,(H,30,34)(H,31,32);6,9H,3-4H2,1-2H3
• InChIKey: ATUDPOGUULDMDL-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 120.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.59
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 144928389) is 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C=O)c3)cc12.CNC(C)(C#N)C1CC1.

What is the InChIKey of 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is ATUDPOGUULDMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F5N3O3.C7H12N2/c1-30-22(34)19-17-9-16(13-4-7-18(26)14(8-13)10-33)21(31-11-24(27,28)29)32-23(17)35-20(19)12-2-5-15(25)6-3-12;1-7(5-8,9-2)6-3-4-6/h2-10H,11H2,1H3,(H,30,34)(H,31,32);6,9H,3-4H2,1-2H3.

What are the key properties of 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 613.59 g/mol, XLogP of 6.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 144928389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).