methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate

C18H20N4O4 — CID 56796791

IUPACmethyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C18H20N4O4/c1-25-18(24)15-6-7-16(21-20-15)19-14-4-2-13(3-5-14)12-17(23)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,19,21)
InChIKeyRAUWXLCLZJUUGN-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.41
Rot. Bonds5

About methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate

methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate (PubChem CID 56796791) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
PubChem CID56796791
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Namemethyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nn1
InChIInChI=1S/C18H20N4O4/c1-25-18(24)15-6-7-16(21-20-15)19-14-4-2-13(3-5-14)12-17(23)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,19,21)
InChIKeyRAUWXLCLZJUUGN-UHFFFAOYSA-N
XLogP1.41
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
CID 108776741
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridazine-3-carboxylate
CID 167970549
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
ethyl 6-[4-(piperidin-1-ylmethyl)anilino]pyridazine-3-carboxylate
CID 108776111
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
methyl 6-(3-anilinoanilino)pyridazine-3-carboxylate
CID 47053095
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate (CID 56796791) is methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate is COC(=O)c1ccc(Nc2ccc(CC(=O)N3CCOCC3)cc2)nn1.
What is the InChIKey of methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate?
The InChIKey is RAUWXLCLZJUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-25-18(24)15-6-7-16(21-20-15)19-14-4-2-13(3-5-14)12-17(23)22-8-10-26-11-9-22/h2-7H,8-12H2,1H3,(H,19,21).
What are the key properties of methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate?
methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]pyridazine-3-carboxylate is sourced from PubChem (CID 56796791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).