N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

C13H20N4O3 — CID 109113900

IUPACN-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C13H20N4O3/c1-19-8-6-14-13(18)11-4-5-12(17-16-11)15-9-10-3-2-7-20-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyFSKMLEULBDCFSV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.44
Rot. Bonds7

About N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109113900) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109113900
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C13H20N4O3/c1-19-8-6-14-13(18)11-4-5-12(17-16-11)15-9-10-3-2-7-20-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyFSKMLEULBDCFSV-UHFFFAOYSA-N
XLogP0.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106000656
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109113900) is N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(NCC2CCCO2)nn1.
What is the InChIKey of N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is FSKMLEULBDCFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-19-8-6-14-13(18)11-4-5-12(17-16-11)15-9-10-3-2-7-20-10/h4-5,10H,2-3,6-9H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).