3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide

C11H15N3O2 — CID 104670537

IUPAC3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H15N3O2/c1-6-5-10(8(3)14-13-6)11(16)12-7(2)9(4)15/h5,7H,1-4H3,(H,12,16)
InChIKeyUHBZIPQGUIJQDP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds3

About 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide

3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide (PubChem CID 104670537) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
PubChem CID104670537
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H15N3O2/c1-6-5-10(8(3)14-13-6)11(16)12-7(2)9(4)15/h5,7H,1-4H3,(H,12,16)
InChIKeyUHBZIPQGUIJQDP-UHFFFAOYSA-N
XLogP0.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
N-(1-bromo-3-methylbutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104672746
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide (CID 104670537) is 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide is CC(=O)C(C)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide?
The InChIKey is UHBZIPQGUIJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6-5-10(8(3)14-13-6)11(16)12-7(2)9(4)15/h5,7H,1-4H3,(H,12,16).
What are the key properties of 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide?
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104670537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).