N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide

C30H27F3N6O5 — CID 90441743

About N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide

N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 90441743) has the molecular formula C30H27F3N6O5 and a molecular weight of 608.58 g/mol. Its IUPAC name is N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 90441743
• Molecular Formula: C30H27F3N6O5
• Molecular Weight: 608.58 g/mol
• Exact Mass: 608.20
• IUPAC Name: N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(OCC(F)(F)F)c(-c3cnc(C)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
• InChI: InChI=1S/C30H27F3N6O5/c1-15-6-8-17(9-7-15)23-22(25(41)34-5)21-11-20(26(37-27(21)44-23)42-13-30(31,32)33)18-10-19(16(2)35-12-18)24(40)38-29(3,4)28-36-14-43-39-28/h6-12,14H,13H2,1-5H3,(H,34,41)(H,38,40)
• InChIKey: FIIMKWDYNYNILK-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 145.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.58
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide (CID 90441743) is N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(OCC(F)(F)F)c(-c3cnc(C)c(C(=O)NC(C)(C)c4ncon4)c3)cc12.

What is the InChIKey of N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is FIIMKWDYNYNILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O5/c1-15-6-8-17(9-7-15)23-22(25(41)34-5)21-11-20(26(37-27(21)44-23)42-13-30(31,32)33)18-10-19(16(2)35-12-18)24(40)38-29(3,4)28-36-14-43-39-28/h6-12,14H,13H2,1-5H3,(H,34,41)(H,38,40).

What are the key properties of N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide?

N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 608.58 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-2-(4-methylphenyl)-6-(2,2,2-trifluoroethoxy)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 90441743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).