5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C28H25FN4O3 — CID 144928379

About 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 144928379) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
• PubChem CID: 144928379
• Molecular Formula: C28H25FN4O3
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.19
• IUPAC Name: 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
• SMILES: CCc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C#N)c1
• InChI: InChI=1S/C28H25FN4O3/c1-5-22-20(17-7-6-8-18(13-17)25(34)33-28(2,3)15-30)14-21-23(26(35)31-4)24(36-27(21)32-22)16-9-11-19(29)12-10-16/h6-14H,5H2,1-4H3,(H,31,35)(H,33,34)
• InChIKey: QJWZQGCAIDCHIE-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 108.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 144928379) is 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CCc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C#N)c1.

What is the InChIKey of 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?

The InChIKey is QJWZQGCAIDCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c1-5-22-20(17-7-6-8-18(13-17)25(34)33-28(2,3)15-30)14-21-23(26(35)31-4)24(36-27(21)32-22)16-9-11-19(29)12-10-16/h6-14H,5H2,1-4H3,(H,31,35)(H,33,34).

What are the key properties of 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?

5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2-cyanopropan-2-ylcarbamoyl)phenyl]-6-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 144928379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).