N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide

C16H16F2N4O3S — CID 109122985

IUPACN-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
SMILESCN(c1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16F2N4O3S/c1-22(11-6-7-26(24,25)9-11)15-5-4-14(20-21-15)16(23)19-10-2-3-12(17)13(18)8-10/h2-5,8,11H,6-7,9H2,1H3,(H,19,23)
InChIKeyNJPRLWLKCDOONZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.63
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide (PubChem CID 109122985) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
PubChem CID109122985
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC NameN-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
SMILESCN(c1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16F2N4O3S/c1-22(11-6-7-26(24,25)9-11)15-5-4-14(20-21-15)16(23)19-10-2-3-12(17)13(18)8-10/h2-5,8,11H,6-7,9H2,1H3,(H,19,23)
InChIKeyNJPRLWLKCDOONZ-UHFFFAOYSA-N
XLogP1.63
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122960
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109122939
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3,4-difluorobenzamide
CID 113043023
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
N-(3,4-difluorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108985725
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199
N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123676
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109111581
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110428
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109122952
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide (CID 109122985) is N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide is CN(c1ccc(C(=O)Nc2ccc(F)c(F)c2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide?
The InChIKey is NJPRLWLKCDOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-22(11-6-7-26(24,25)9-11)15-5-4-14(20-21-15)16(23)19-10-2-3-12(17)13(18)8-10/h2-5,8,11H,6-7,9H2,1H3,(H,19,23).
What are the key properties of N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).