6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C23H24F2N6O3 — CID 122179276

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 122179276) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
• PubChem CID: 122179276
• Molecular Formula: C23H24F2N6O3
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.19
• IUPAC Name: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
• SMILES: CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(-c2cccnc2)o1
• InChI: InChI=1S/C23H24F2N6O3/c1-22(2,21-30-29-19(34-21)15-4-3-9-26-10-15)28-18(32)16-7-8-17(31-12-23(24,25)13-31)20(27-16)33-11-14-5-6-14/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,28,32)
• InChIKey: FENJHNQEXSOWIO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 122179276) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(-c2cccnc2)o1.

What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?

The InChIKey is FENJHNQEXSOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-22(2,21-30-29-19(34-21)15-4-3-9-26-10-15)28-18(32)16-7-8-17(31-12-23(24,25)13-31)20(27-16)33-11-14-5-6-14/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,28,32).

What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122179276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).