ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate

C17H19N3O6 — CID 108776690

IUPACethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2oc(C)c(C(C)=O)c2C(=O)OCC)nn1
InChIInChI=1S/C17H19N3O6/c1-5-24-16(22)11-7-8-12(20-19-11)18-15-14(17(23)25-6-2)13(9(3)21)10(4)26-15/h7-8H,5-6H2,1-4H3,(H,18,20)
InChIKeyNFCPZBUKYRZDCG-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.68
Rot. Bonds7

About ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate

ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate (PubChem CID 108776690) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
PubChem CID108776690
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Nameethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2oc(C)c(C(C)=O)c2C(=O)OCC)nn1
InChIInChI=1S/C17H19N3O6/c1-5-24-16(22)11-7-8-12(20-19-11)18-15-14(17(23)25-6-2)13(9(3)21)10(4)26-15/h7-8H,5-6H2,1-4H3,(H,18,20)
InChIKeyNFCPZBUKYRZDCG-UHFFFAOYSA-N
XLogP2.68
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
CID 108774195
ethyl 4-acetyl-2-(1H-benzimidazol-2-ylamino)-5-methylfuran-3-carboxylate
CID 108776730
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-methyl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]furan-3,4-dicarboxylate
CID 108776192
ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108774402
ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
CID 108774168
[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 30565474
ethyl 4-acetyl-2-[(3-fluorobenzoyl)amino]-5-methylfuran-3-carboxylate
CID 108740989
ethyl 4-acetyl-5-methyl-2-(phenylcarbamothioylamino)furan-3-carboxylate
CID 108782925
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
ethyl 4-acetyl-5-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108763584
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate (CID 108776690) is ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate is CCOC(=O)c1ccc(Nc2oc(C)c(C(C)=O)c2C(=O)OCC)nn1.
What is the InChIKey of ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate?
The InChIKey is NFCPZBUKYRZDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-5-24-16(22)11-7-8-12(20-19-11)18-15-14(17(23)25-6-2)13(9(3)21)10(4)26-15/h7-8H,5-6H2,1-4H3,(H,18,20).
What are the key properties of ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate?
ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108776690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).