6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

C20H26FN5O — CID 109124021

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C20H26FN5O/c1-15(2)9-10-22-20(27)17-7-8-19(24-23-17)26-13-11-25(12-14-26)18-6-4-3-5-16(18)21/h3-8,15H,9-14H2,1-2H3,(H,22,27)
InChIKeyVLYPKZFFRBJBKS-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.72
Rot. Bonds6

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

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (PubChem CID 109124021) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
PubChem CID109124021
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C20H26FN5O/c1-15(2)9-10-22-20(27)17-7-8-19(24-23-17)26-13-11-25(12-14-26)18-6-4-3-5-16(18)21/h3-8,15H,9-14H2,1-2H3,(H,22,27)
InChIKeyVLYPKZFFRBJBKS-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110446
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
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
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402
6-[4-(2,5-difluorophenoxy)piperidin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 16731528
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
N-(3-methylbutyl)-6-[4-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 86597212
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
N-(3-methylbutyl)-6-[3-[[2-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 67172311
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide (CID 109124021) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
The InChIKey is VLYPKZFFRBJBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-15(2)9-10-22-20(27)17-7-8-19(24-23-17)26-13-11-25(12-14-26)18-6-4-3-5-16(18)21/h3-8,15H,9-14H2,1-2H3,(H,22,27).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide?
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).