2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide

C30H26FN5O4 — CID 154193335

About 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 154193335) has the molecular formula C30H26FN5O4 and a molecular weight of 539.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide
• PubChem CID: 154193335
• Molecular Formula: C30H26FN5O4
• Molecular Weight: 539.57 g/mol
• Exact Mass: 539.20
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide
• SMILES: CC=Cc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)c2ncon2)c1
• InChI: InChI=1S/C30H26FN5O4/c1-5-7-23-21(18-8-6-9-19(14-18)26(37)35-30(2,3)29-33-16-39-36-29)15-22-24(27(38)32-4)25(40-28(22)34-23)17-10-12-20(31)13-11-17/h5-16H,1-4H3,(H,32,38)(H,35,37)
• InChIKey: XLUPVAOHHCNAJY-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 123.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.57
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide (CID 154193335) is 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide is CC=Cc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)c2ncon2)c1.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide?

The InChIKey is XLUPVAOHHCNAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O4/c1-5-7-23-21(18-8-6-9-19(14-18)26(37)35-30(2,3)29-33-16-39-36-29)15-22-24(27(38)32-4)25(40-28(22)34-23)17-10-12-20(31)13-11-17/h5-16H,1-4H3,(H,32,38)(H,35,37).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-prop-1-enylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 154193335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).