methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate

C13H20N4O4 — CID 79937428

IUPACmethyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate
SMILESCNC(=O)c1ccc(N(CCOC)CCC(=O)OC)nn1
InChIInChI=1S/C13H20N4O4/c1-14-13(19)10-4-5-11(16-15-10)17(8-9-20-2)7-6-12(18)21-3/h4-5H,6-9H2,1-3H3,(H,14,19)
InChIKeySGKCLROMLORASN-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.15
Rot. Bonds8

About methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate

methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate (PubChem CID 79937428) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate
PubChem CID79937428
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Namemethyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate
SMILESCNC(=O)c1ccc(N(CCOC)CCC(=O)OC)nn1
InChIInChI=1S/C13H20N4O4/c1-14-13(19)10-4-5-11(16-15-10)17(8-9-20-2)7-6-12(18)21-3/h4-5H,6-9H2,1-3H3,(H,14,19)
InChIKeySGKCLROMLORASN-UHFFFAOYSA-N
XLogP-0.15
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate (CID 79937428) is methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate is CNC(=O)c1ccc(N(CCOC)CCC(=O)OC)nn1.
What is the InChIKey of methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate?
The InChIKey is SGKCLROMLORASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-14-13(19)10-4-5-11(16-15-10)17(8-9-20-2)7-6-12(18)21-3/h4-5H,6-9H2,1-3H3,(H,14,19).
What are the key properties of methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate?
methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate has a molecular weight of 296.33 g/mol, XLogP of -0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate is sourced from PubChem (CID 79937428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).