4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide

C17H21FN6O — CID 91968748

IUPAC4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C17H21FN6O/c1-22(2)13-11-16(21-19-12-13)23-7-9-24(10-8-23)17(25)20-15-6-4-3-5-14(15)18/h3-6,11-12H,7-10H2,1-2H3,(H,20,25)
InChIKeyYYVBOIBNCPHSLO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.04
Rot. Bonds3

About 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide

4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 91968748) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID91968748
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C17H21FN6O/c1-22(2)13-11-16(21-19-12-13)23-7-9-24(10-8-23)17(25)20-15-6-4-3-5-14(15)18/h3-6,11-12H,7-10H2,1-2H3,(H,20,25)
InChIKeyYYVBOIBNCPHSLO-UHFFFAOYSA-N
XLogP2.04
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342617
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-[5-(dimethylamino)pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91968747
N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342618
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
N-(2-fluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56920257
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122342714

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 91968748) is 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide is CN(C)c1cnnc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1.
What is the InChIKey of 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is YYVBOIBNCPHSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-22(2)13-11-16(21-19-12-13)23-7-9-24(10-8-23)17(25)20-15-6-4-3-5-14(15)18/h3-6,11-12H,7-10H2,1-2H3,(H,20,25).
What are the key properties of 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91968748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).