2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C22H20F3N5O4 — CID 146586043

IUPAC2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)C2)C1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-5-3-12(4-6-14)18-29-30-20(33-18)28-13-8-21(9-13)10-15(11-21)32-19-16(17(26)31)2-1-7-27-19/h1-7,13,15H,8-11H2,(H2,26,31)(H,28,30)
InChIKeyULEGDEBNDNIPBH-UHFFFAOYSA-N
MW475.43 g/mol
LogP3.93
Rot. Bonds7

About 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586043) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586043
Molecular FormulaC22H20F3N5O4
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC Name2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)C2)C1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-5-3-12(4-6-14)18-29-30-20(33-18)28-13-8-21(9-13)10-15(11-21)32-19-16(17(26)31)2-1-7-27-19/h1-7,13,15H,8-11H2,(H2,26,31)(H,28,30)
InChIKeyULEGDEBNDNIPBH-UHFFFAOYSA-N
XLogP3.93
TPSA125.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586043) is 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(OC(F)(F)F)cc4)o3)C2)C1.
What is the InChIKey of 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is ULEGDEBNDNIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-5-3-12(4-6-14)18-29-30-20(33-18)28-13-8-21(9-13)10-15(11-21)32-19-16(17(26)31)2-1-7-27-19/h1-7,13,15H,8-11H2,(H2,26,31)(H,28,30).
What are the key properties of 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).