N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

C18H21FN4O3S — CID 113043499

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCCN(c1ccc(NC(=O)Cc2cccc(F)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21FN4O3S/c1-2-23(15-8-9-27(25,26)12-15)17-7-6-16(21-22-17)20-18(24)11-13-4-3-5-14(19)10-13/h3-7,10,15H,2,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyOFAGBWFQNWKRMO-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.81
Rot. Bonds6

About N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 113043499) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID113043499
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCCN(c1ccc(NC(=O)Cc2cccc(F)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21FN4O3S/c1-2-23(15-8-9-27(25,26)12-15)17-7-6-16(21-22-17)20-18(24)11-13-4-3-5-14(19)10-13/h3-7,10,15H,2,8-9,11-12H2,1H3,(H,20,21,24)
InChIKeyOFAGBWFQNWKRMO-UHFFFAOYSA-N
XLogP1.81
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113043476
N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123686
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119315
N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123676
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109331910
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109310102
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113028710
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide (CID 113043499) is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is CCN(c1ccc(NC(=O)Cc2cccc(F)c2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is OFAGBWFQNWKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-2-23(15-8-9-27(25,26)12-15)17-7-6-16(21-22-17)20-18(24)11-13-4-3-5-14(19)10-13/h3-7,10,15H,2,8-9,11-12H2,1H3,(H,20,21,24).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide?
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113043499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).