methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate

C12H18N4O4 — CID 114393876

IUPACmethyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate
SMILESCOC(=O)C(Cn1ncc(N(C)C)cc1=O)NC(C)=O
InChIInChI=1S/C12H18N4O4/c1-8(17)14-10(12(19)20-4)7-16-11(18)5-9(6-13-16)15(2)3/h5-6,10H,7H2,1-4H3,(H,14,17)
InChIKeyZVIWZMTVXAJGGF-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.01
Rot. Bonds5

About methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate

methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate (PubChem CID 114393876) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate
PubChem CID114393876
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate
SMILESCOC(=O)C(Cn1ncc(N(C)C)cc1=O)NC(C)=O
InChIInChI=1S/C12H18N4O4/c1-8(17)14-10(12(19)20-4)7-16-11(18)5-9(6-13-16)15(2)3/h5-6,10H,7H2,1-4H3,(H,14,17)
InChIKeyZVIWZMTVXAJGGF-UHFFFAOYSA-N
XLogP-1.01
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate with MolForge

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Related Compounds

Ethyl 2-(6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)acetate
CID 42544148
Methyl 2-acetamido-3-(6-oxopyridazin-1-yl)propanoate
CID 65444017
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methoxypropyl)acetamide
CID 103218290
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103218332
N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218574
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 103219005
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 103219006
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 103219068
N-(3-methoxypropyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219444
N-(1-methoxypropan-2-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219445
N-(2-methoxyethyl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219496
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 103219832

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate?
The IUPAC name of methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate (CID 114393876) is methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate is COC(=O)C(Cn1ncc(N(C)C)cc1=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate?
The InChIKey is ZVIWZMTVXAJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(17)14-10(12(19)20-4)7-16-11(18)5-9(6-13-16)15(2)3/h5-6,10H,7H2,1-4H3,(H,14,17).
What are the key properties of methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate?
methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate has a molecular weight of 282.30 g/mol, XLogP of -1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate is sourced from PubChem (CID 114393876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).