N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide

C17H20N4O4S — CID 113043003

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C17H20N4O4S/c1-21(12-9-10-26(23,24)11-12)16-8-7-15(19-20-16)18-17(22)13-5-3-4-6-14(13)25-2/h3-8,12H,9-11H2,1-2H3,(H,18,19,22)
InChIKeyJGMCAKMBZFHTOU-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.36
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide (PubChem CID 113043003) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
PubChem CID113043003
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C17H20N4O4S/c1-21(12-9-10-26(23,24)11-12)16-8-7-15(19-20-16)18-17(22)13-5-3-4-6-14(13)25-2/h3-8,12H,9-11H2,1-2H3,(H,18,19,22)
InChIKeyJGMCAKMBZFHTOU-UHFFFAOYSA-N
XLogP1.36
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113043019
1-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043036
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3,4-difluorobenzamide
CID 113043023
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
CID 113014130
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113013675
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
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
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120269
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methoxybenzamide
CID 113013683
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113043476

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide (CID 113043003) is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N(C)C2CCS(=O)(=O)C2)nn1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide?
The InChIKey is JGMCAKMBZFHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-21(12-9-10-26(23,24)11-12)16-8-7-15(19-20-16)18-17(22)13-5-3-4-6-14(13)25-2/h3-8,12H,9-11H2,1-2H3,(H,18,19,22).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide?
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide has a molecular weight of 376.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 113043003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).