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

C13H21N3O3 — CID 115409703

IUPAC1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NOCC(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-16-12(17)7-6-11(14-16)13(18)15-19-9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyKIDXHDYJFFIROL-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.36
Rot. Bonds7

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

1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide (PubChem CID 115409703) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
PubChem CID115409703
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NOCC(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-16-12(17)7-6-11(14-16)13(18)15-19-9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyKIDXHDYJFFIROL-UHFFFAOYSA-N
XLogP1.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide (CID 115409703) is 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NOCC(C)C)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide?
The InChIKey is KIDXHDYJFFIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-8-16-12(17)7-6-11(14-16)13(18)15-19-9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18).
What are the key properties of 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 115409703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).