6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

C21H26F2N4O2 — CID 16731528

IUPAC6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C21H26F2N4O2/c1-14(2)7-10-24-21(28)18-5-6-20(26-25-18)27-11-8-16(9-12-27)29-19-13-15(22)3-4-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28)
InChIKeyJHIWMXLEYLTYOS-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.58
Rot. Bonds7

About 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 16731528) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID16731528
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C21H26F2N4O2/c1-14(2)7-10-24-21(28)18-5-6-20(26-25-18)27-11-8-16(9-12-27)29-19-13-15(22)3-4-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28)
InChIKeyJHIWMXLEYLTYOS-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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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
1-fluorobutyl 4-[6-(3-methylbutylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 67011723
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
6-chloropyridazine-3-carboxylic acid;6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 159973210
N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 67172311
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
CID 16731863
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
N-(3-methylbutyl)-6-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 86597212
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
N-(2-cyclobutylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11294562
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 16731528) is 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC(Oc3cc(F)ccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is JHIWMXLEYLTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-14(2)7-10-24-21(28)18-5-6-20(26-25-18)27-11-8-16(9-12-27)29-19-13-15(22)3-4-17(19)23/h3-6,13-14,16H,7-12H2,1-2H3,(H,24,28).
What are the key properties of 6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-[4-(2,5-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-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 16731528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).