3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide

C19H19FN4O3 — CID 171674418

IUPAC3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide
SMILESO=C(NC1CC2(CCN(C(=O)c3ccnnc3)C2)C1)c1ccc(O)c(F)c1
InChIInChI=1S/C19H19FN4O3/c20-15-7-12(1-2-16(15)25)17(26)23-14-8-19(9-14)4-6-24(11-19)18(27)13-3-5-21-22-10-13/h1-3,5,7,10,14,25H,4,6,8-9,11H2,(H,23,26)
InChIKeyBFUZYFWSVOXGAB-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.75
Rot. Bonds3

About 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide

3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide (PubChem CID 171674418) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide
PubChem CID171674418
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide
SMILESO=C(NC1CC2(CCN(C(=O)c3ccnnc3)C2)C1)c1ccc(O)c(F)c1
InChIInChI=1S/C19H19FN4O3/c20-15-7-12(1-2-16(15)25)17(26)23-14-8-19(9-14)4-6-24(11-19)18(27)13-3-5-21-22-10-13/h1-3,5,7,10,14,25H,4,6,8-9,11H2,(H,23,26)
InChIKeyBFUZYFWSVOXGAB-UHFFFAOYSA-N
XLogP1.75
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide (CID 171674418) is 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide is O=C(NC1CC2(CCN(C(=O)c3ccnnc3)C2)C1)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide?
The InChIKey is BFUZYFWSVOXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-15-7-12(1-2-16(15)25)17(26)23-14-8-19(9-14)4-6-24(11-19)18(27)13-3-5-21-22-10-13/h1-3,5,7,10,14,25H,4,6,8-9,11H2,(H,23,26).
What are the key properties of 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide?
3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-[6-(pyridazine-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]benzamide is sourced from PubChem (CID 171674418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).