6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide

C17H17N5O5S — CID 56583547

IUPAC6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nn1
InChIInChI=1S/C17H17N5O5S/c1-21(2)14-8-7-13(18-19-14)15(23)20-28(26,27)10-9-22-16(24)11-5-3-4-6-12(11)17(22)25/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyJEDLYSUQQYXTSQ-UHFFFAOYSA-N
MW403.42 g/mol
LogP-0.10
Rot. Bonds6

About 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide (PubChem CID 56583547) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide
PubChem CID56583547
Molecular FormulaC17H17N5O5S
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC Name6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nn1
InChIInChI=1S/C17H17N5O5S/c1-21(2)14-8-7-13(18-19-14)15(23)20-28(26,27)10-9-22-16(24)11-5-3-4-6-12(11)17(22)25/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyJEDLYSUQQYXTSQ-UHFFFAOYSA-N
XLogP-0.10
TPSA129.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662
N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
CID 55758157
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122334072
3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
CID 138018346
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110312688
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 122322541
methyl 6-(dimethylamino)pyridazine-3-carboxylate
CID 121206143

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide (CID 56583547) is 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nn1.
What is the InChIKey of 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide?
The InChIKey is JEDLYSUQQYXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-21(2)14-8-7-13(18-19-14)15(23)20-28(26,27)10-9-22-16(24)11-5-3-4-6-12(11)17(22)25/h3-8H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide has a molecular weight of 403.42 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]pyridazine-3-carboxamide is sourced from PubChem (CID 56583547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).