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

C15H17ClN4O4 — CID 142792700

IUPACmethyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C15H17ClN4O4/c1-15(2,14(22)23-4)24-9-5-6-12(17-8-9)18-10-7-11(16)19-20(3)13(10)21/h5-8H,1-4H3,(H,17,18)
InChIKeyALQQMNGJSNSGHT-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.90
Rot. Bonds5

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

methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate (PubChem CID 142792700) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
PubChem CID142792700
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Namemethyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C15H17ClN4O4/c1-15(2,14(22)23-4)24-9-5-6-12(17-8-9)18-10-7-11(16)19-20(3)13(10)21/h5-8H,1-4H3,(H,17,18)
InChIKeyALQQMNGJSNSGHT-UHFFFAOYSA-N
XLogP1.90
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate (CID 142792700) is methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate is COC(=O)C(C)(C)Oc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1.
What is the InChIKey of methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
The InChIKey is ALQQMNGJSNSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-15(2,14(22)23-4)24-9-5-6-12(17-8-9)18-10-7-11(16)19-20(3)13(10)21/h5-8H,1-4H3,(H,17,18).
What are the key properties of methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate?
methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate has a molecular weight of 352.78 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(6-chloro-2-methyl-3-oxopyridazin-4-yl)amino]-3-pyridinyl]oxy]-2-methylpropanoate is sourced from PubChem (CID 142792700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).