methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate

C19H16N4O4 — CID 108774286

IUPACmethyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(Nc2ccc(-c3ccc(OC)cc3)nn2)c1C#N
InChIInChI=1S/C19H16N4O4/c1-11-17(19(24)26-3)14(10-20)18(27-11)21-16-9-8-15(22-23-16)12-4-6-13(25-2)7-5-12/h4-9H,1-3H3,(H,21,23)
InChIKeyHWZRJLLWWNFLPK-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.46
Rot. Bonds5

About methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate

methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate (PubChem CID 108774286) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate
PubChem CID108774286
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Namemethyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(Nc2ccc(-c3ccc(OC)cc3)nn2)c1C#N
InChIInChI=1S/C19H16N4O4/c1-11-17(19(24)26-3)14(10-20)18(27-11)21-16-9-8-15(22-23-16)12-4-6-13(25-2)7-5-12/h4-9H,1-3H3,(H,21,23)
InChIKeyHWZRJLLWWNFLPK-UHFFFAOYSA-N
XLogP3.46
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291
methyl 4-cyano-2-methyl-5-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774245
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774195
methyl 4-cyano-5-[[2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carbonyl]amino]-2-methylfuran-3-carboxylate
CID 136834471
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238
4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
CID 108781671

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate (CID 108774286) is methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(Nc2ccc(-c3ccc(OC)cc3)nn2)c1C#N.
What is the InChIKey of methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is HWZRJLLWWNFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-11-17(19(24)26-3)14(10-20)18(27-11)21-16-9-8-15(22-23-16)12-4-6-13(25-2)7-5-12/h4-9H,1-3H3,(H,21,23).
What are the key properties of methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate?
methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108774286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).