methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate

C13H19N3O4 — CID 62006057

IUPACmethyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
SMILESCCCC(C)(Nc1ccc(C(=O)OC)nn1)C(=O)OC
InChIInChI=1S/C13H19N3O4/c1-5-8-13(2,12(18)20-4)14-10-7-6-9(15-16-10)11(17)19-3/h6-7H,5,8H2,1-4H3,(H,14,16)
InChIKeyNUTNNDVRJICCKO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.41
Rot. Bonds6

About methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate

methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate (PubChem CID 62006057) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
PubChem CID62006057
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
SMILESCCCC(C)(Nc1ccc(C(=O)OC)nn1)C(=O)OC
InChIInChI=1S/C13H19N3O4/c1-5-8-13(2,12(18)20-4)14-10-7-6-9(15-16-10)11(17)19-3/h6-7H,5,8H2,1-4H3,(H,14,16)
InChIKeyNUTNNDVRJICCKO-UHFFFAOYSA-N
XLogP1.41
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
CID 79807108
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
CID 106097307
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
CID 62007006
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
CID 66320364
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate (CID 62006057) is methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate is CCCC(C)(Nc1ccc(C(=O)OC)nn1)C(=O)OC.
What is the InChIKey of methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate?
The InChIKey is NUTNNDVRJICCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-5-8-13(2,12(18)20-4)14-10-7-6-9(15-16-10)11(17)19-3/h6-7H,5,8H2,1-4H3,(H,14,16).
What are the key properties of methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 62006057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).