N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide

C17H18F2N4O3S — CID 109123686

IUPACN-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2c(F)cccc2F)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18F2N4O3S/c1-2-23(11-8-9-27(25,26)10-11)15-7-6-14(21-22-15)17(24)20-16-12(18)4-3-5-13(16)19/h3-7,11H,2,8-10H2,1H3,(H,20,24)
InChIKeyHTDNFRNPFJSUNK-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.02
Rot. Bonds5

About N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide

N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide (PubChem CID 109123686) has the molecular formula C17H18F2N4O3S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
PubChem CID109123686
Molecular FormulaC17H18F2N4O3S
Molecular Weight396.42 g/mol
Exact Mass396.11
IUPAC NameN-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2c(F)cccc2F)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H18F2N4O3S/c1-2-23(11-8-9-27(25,26)10-11)15-7-6-14(21-22-15)17(24)20-16-12(18)4-3-5-13(16)19/h3-7,11H,2,8-10H2,1H3,(H,20,24)
InChIKeyHTDNFRNPFJSUNK-UHFFFAOYSA-N
XLogP2.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109122952
3-(2,6-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 108989871
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113043499
N-(2,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352658
N-(2,6-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950205
N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122985
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113043476
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109215813

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide (CID 109123686) is N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide is CCN(c1ccc(C(=O)Nc2c(F)cccc2F)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The InChIKey is HTDNFRNPFJSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3S/c1-2-23(11-8-9-27(25,26)10-11)15-7-6-14(21-22-15)17(24)20-16-12(18)4-3-5-13(16)19/h3-7,11H,2,8-10H2,1H3,(H,20,24).
What are the key properties of N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109123686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).