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

C21H20FN5O3 — CID 146585995

IUPAC2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(F)cc4)o3)C2)C1
InChIInChI=1S/C21H20FN5O3/c22-13-5-3-12(4-6-13)18-26-27-20(30-18)25-14-8-21(9-14)10-15(11-21)29-19-16(17(23)28)2-1-7-24-19/h1-7,14-15H,8-11H2,(H2,23,28)(H,25,27)
InChIKeyUVURLFAQNOFITB-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.17
Rot. Bonds6

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

2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146585995) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146585995
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(F)cc4)o3)C2)C1
InChIInChI=1S/C21H20FN5O3/c22-13-5-3-12(4-6-13)18-26-27-20(30-18)25-14-8-21(9-14)10-15(11-21)29-19-16(17(23)28)2-1-7-24-19/h1-7,14-15H,8-11H2,(H2,23,28)(H,25,27)
InChIKeyUVURLFAQNOFITB-UHFFFAOYSA-N
XLogP3.17
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146585995) is 2-[6-[[5-(4-fluorophenyl)-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-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3nnc(-c4ccc(F)cc4)o3)C2)C1.
What is the InChIKey of 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is UVURLFAQNOFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-13-5-3-12(4-6-13)18-26-27-20(30-18)25-14-8-21(9-14)10-15(11-21)29-19-16(17(23)28)2-1-7-24-19/h1-7,14-15H,8-11H2,(H2,23,28)(H,25,27).
What are the key properties of 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146585995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).