methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate

C11H15N3O3 — CID 104671773

IUPACmethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H15N3O3/c1-6-5-9(7(2)14-13-6)10(15)12-8(3)11(16)17-4/h5,8H,1-4H3,(H,12,15)
InChIKeyAFPIRUKEWXFMBX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate

methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate (PubChem CID 104671773) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
PubChem CID104671773
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C11H15N3O3/c1-6-5-9(7(2)14-13-6)10(15)12-8(3)11(16)17-4/h5,8H,1-4H3,(H,12,15)
InChIKeyAFPIRUKEWXFMBX-UHFFFAOYSA-N
XLogP0.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
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-(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-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate (CID 104671773) is methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
The InChIKey is AFPIRUKEWXFMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-5-9(7(2)14-13-6)10(15)12-8(3)11(16)17-4/h5,8H,1-4H3,(H,12,15).
What are the key properties of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate?
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate has a molecular weight of 237.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 104671773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).