N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C12H19N3O3 — CID 30386755

IUPACN-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C12H19N3O3/c1-3-4-7-13-12(17)10-5-6-11(16)15(14-10)8-9-18-2/h5-6H,3-4,7-9H2,1-2H3,(H,13,17)
InChIKeyZJKPWKNURIIJMD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.42
Rot. Bonds7

About N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 30386755) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID30386755
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C12H19N3O3/c1-3-4-7-13-12(17)10-5-6-11(16)15(14-10)8-9-18-2/h5-6H,3-4,7-9H2,1-2H3,(H,13,17)
InChIKeyZJKPWKNURIIJMD-UHFFFAOYSA-N
XLogP0.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47079519
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 30386755) is N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCCCNC(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ZJKPWKNURIIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-7-13-12(17)10-5-6-11(16)15(14-10)8-9-18-2/h5-6H,3-4,7-9H2,1-2H3,(H,13,17).
What are the key properties of N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 30386755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).