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

C21H26F2N4O2 — CID 16732584

IUPAC6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3c(F)cccc3F)CC2)nn1
InChIInChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)18-6-7-19(26-25-18)27-12-9-15(10-13-27)29-20-16(22)4-3-5-17(20)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28)
InChIKeyIWSXNYWHMLHGSY-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.58
Rot. Bonds7

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

6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 16732584) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID16732584
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3c(F)cccc3F)CC2)nn1
InChIInChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)18-6-7-19(26-25-18)27-12-9-15(10-13-27)29-20-16(22)4-3-5-17(20)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28)
InChIKeyIWSXNYWHMLHGSY-UHFFFAOYSA-N
XLogP3.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 16732584) is 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC(Oc3c(F)cccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is IWSXNYWHMLHGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-14(2)8-11-24-21(28)18-6-7-19(26-25-18)27-12-9-15(10-13-27)29-20-16(22)4-3-5-17(20)23/h3-7,14-15H,8-13H2,1-2H3,(H,24,28).
What are the key properties of 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 16732584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).