5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C20H26F3N3O3 — CID 90204924

IUPAC5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)CC(C)(NC(=O)c1cc(O[C@@](C)(F)C(F)F)c(C2CC2)cn1)C1CC1
InChIInChI=1S/C20H26F3N3O3/c1-19(12-6-7-12,9-16(27)24-3)26-17(28)14-8-15(29-20(2,23)18(21)22)13(10-25-14)11-4-5-11/h8,10-12,18H,4-7,9H2,1-3H3,(H,24,27)(H,26,28)/t19?,20-/m1/s1
InChIKeyXKGFTZUHNPPDAK-GFOWMXPYSA-N
MW413.44 g/mol
LogP3.32
Rot. Bonds9

About 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90204924) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90204924
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)CC(C)(NC(=O)c1cc(O[C@@](C)(F)C(F)F)c(C2CC2)cn1)C1CC1
InChIInChI=1S/C20H26F3N3O3/c1-19(12-6-7-12,9-16(27)24-3)26-17(28)14-8-15(29-20(2,23)18(21)22)13(10-25-14)11-4-5-11/h8,10-12,18H,4-7,9H2,1-3H3,(H,24,27)(H,26,28)/t19?,20-/m1/s1
InChIKeyXKGFTZUHNPPDAK-GFOWMXPYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90204924) is 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)CC(C)(NC(=O)c1cc(O[C@@](C)(F)C(F)F)c(C2CC2)cn1)C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is XKGFTZUHNPPDAK-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-19(12-6-7-12,9-16(27)24-3)26-17(28)14-8-15(29-20(2,23)18(21)22)13(10-25-14)11-4-5-11/h8,10-12,18H,4-7,9H2,1-3H3,(H,24,27)(H,26,28)/t19?,20-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90204924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).