6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

C21H27FN4O2 — CID 16731523

IUPAC6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1
InChIInChI=1S/C21H27FN4O2/c1-15(2)9-12-23-21(27)18-7-8-20(25-24-18)26-13-10-16(11-14-26)28-19-6-4-3-5-17(19)22/h3-8,15-16H,9-14H2,1-2H3,(H,23,27)
InChIKeyHGRBQPLPLBZGLK-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.44
Rot. Bonds7

About 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 16731523) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID16731523
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1
InChIInChI=1S/C21H27FN4O2/c1-15(2)9-12-23-21(27)18-7-8-20(25-24-18)26-13-10-16(11-14-26)28-19-6-4-3-5-17(19)22/h3-8,15-16H,9-14H2,1-2H3,(H,23,27)
InChIKeyHGRBQPLPLBZGLK-UHFFFAOYSA-N
XLogP3.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 16731523) is 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is HGRBQPLPLBZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-15(2)9-12-23-21(27)18-7-8-20(25-24-18)26-13-10-16(11-14-26)28-19-6-4-3-5-17(19)22/h3-8,15-16H,9-14H2,1-2H3,(H,23,27).
What are the key properties of 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 16731523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).