ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate

C20H30N4O4 — CID 144695703

IUPACethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
SMILESCC.CCOC(=O)C(C)(C)Oc1ccc(Nc2cc(CC)nn(C)c2=O)nc1
InChIInChI=1S/C18H24N4O4.C2H6/c1-6-12-10-14(16(23)22(5)21-12)20-15-9-8-13(11-19-15)26-18(3,4)17(24)25-7-2;1-2/h8-11H,6-7H2,1-5H3,(H,19,20);1-2H3
InChIKeyXJQXEYOSTYFDDJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.23
Rot. Bonds7

About ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate

ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate (PubChem CID 144695703) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
PubChem CID144695703
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
SMILESCC.CCOC(=O)C(C)(C)Oc1ccc(Nc2cc(CC)nn(C)c2=O)nc1
InChIInChI=1S/C18H24N4O4.C2H6/c1-6-12-10-14(16(23)22(5)21-12)20-15-9-8-13(11-19-15)26-18(3,4)17(24)25-7-2;1-2/h8-11H,6-7H2,1-5H3,(H,19,20);1-2H3
InChIKeyXJQXEYOSTYFDDJ-UHFFFAOYSA-N
XLogP3.23
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The IUPAC name of ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate (CID 144695703) is ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate.
What is the SMILES notation for ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The canonical SMILES for ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate is CC.CCOC(=O)C(C)(C)Oc1ccc(Nc2cc(CC)nn(C)c2=O)nc1.
What is the InChIKey of ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The InChIKey is XJQXEYOSTYFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4.C2H6/c1-6-12-10-14(16(23)22(5)21-12)20-15-9-8-13(11-19-15)26-18(3,4)17(24)25-7-2;1-2/h8-11H,6-7H2,1-5H3,(H,19,20);1-2H3.
What are the key properties of ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate has a molecular weight of 390.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[[6-[(6-ethyl-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate is sourced from PubChem (CID 144695703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).