methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate

C12H17N3O5 — CID 47120194

IUPACmethyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
SMILESCOCCn1nc(C(=O)NCCC(=O)OC)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-19-8-7-15-10(16)4-3-9(14-15)12(18)13-6-5-11(17)20-2/h3-4H,5-8H2,1-2H3,(H,13,18)
InChIKeyICNGXFIYXFBTDP-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.82
Rot. Bonds7

About methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate

methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate (PubChem CID 47120194) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
PubChem CID47120194
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
SMILESCOCCn1nc(C(=O)NCCC(=O)OC)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-19-8-7-15-10(16)4-3-9(14-15)12(18)13-6-5-11(17)20-2/h3-4H,5-8H2,1-2H3,(H,13,18)
InChIKeyICNGXFIYXFBTDP-UHFFFAOYSA-N
XLogP-0.82
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
2-hydroxy-3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-2-methylpropanoic acid
CID 66172187
N-(2-hydroxy-2-methylbutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65114524
1-[[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449208
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate (CID 47120194) is methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate is COCCn1nc(C(=O)NCCC(=O)OC)ccc1=O.
What is the InChIKey of methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate?
The InChIKey is ICNGXFIYXFBTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-19-8-7-15-10(16)4-3-9(14-15)12(18)13-6-5-11(17)20-2/h3-4H,5-8H2,1-2H3,(H,13,18).
What are the key properties of methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate?
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate has a molecular weight of 283.28 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 47120194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).