5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C₂₀H₂₃F₃N₄O₃ — CID 74763822

About 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 74763822) has the molecular formula C₂₀H₂₃F₃N₄O₃ and a molecular weight of 424.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
• PubChem CID: 74763822
• Molecular Formula: C₂₀H₂₃F₃N₄O₃
• Molecular Weight: 424.42 g/mol
• Exact Mass: 424.17
• IUPAC Name: 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
• SMILES: Cc1nc(C(C)(NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1
• InChI: InChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m0/s1
• InChIKey: KWDRDSMKCSDYLL-IHBJSSOOSA-N
• XLogP: 4.04
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.42
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 74763822) is 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is Cc1nc(C(C)(NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2CC2)no1.

What is the InChIKey of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?

The InChIKey is KWDRDSMKCSDYLL-IHBJSSOOSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-10(20(21,22)23)29-16-8-15(24-9-14(16)12-4-5-12)17(28)26-19(3,13-6-7-13)18-25-11(2)30-27-18/h8-10,12-13H,4-7H2,1-3H3,(H,26,28)/t10-,19?/m0/s1.

What are the key properties of 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?

5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 74763822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 74763822 — identifiers, structure, computed properties (public domain)

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