N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

C17H20N4O4 — CID 109114237

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C17H20N4O4/c1-23-8-2-7-18-16-6-4-13(20-21-16)17(22)19-12-3-5-14-15(11-12)25-10-9-24-14/h3-6,11H,2,7-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyMKBBKZGELKTMCB-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.95
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114237) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114237
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1
InChIInChI=1S/C17H20N4O4/c1-23-8-2-7-18-16-6-4-13(20-21-16)17(22)19-12-3-5-14-15(11-12)25-10-9-24-14/h3-6,11H,2,7-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyMKBBKZGELKTMCB-UHFFFAOYSA-N
XLogP1.95
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(1,3-benzodioxol-5-yl)-6-(butylamino)pyridazine-3-carboxamide
CID 109110742
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111127
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115624
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide
CID 108943393
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114237) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)nn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is MKBBKZGELKTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-8-2-7-18-16-6-4-13(20-21-16)17(22)19-12-3-5-14-15(11-12)25-10-9-24-14/h3-6,11H,2,7-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).