ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate

C20H20N4O4 — CID 108774195

IUPACethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2ccc(-c3ccc(C)cc3)nn2)c1C(N)=O
InChIInChI=1S/C20H20N4O4/c1-4-27-20(26)16-12(3)28-19(17(16)18(21)25)22-15-10-9-14(23-24-15)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyVHEFKYYXCRKPPN-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.37
Rot. Bonds6

About ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate

ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate (PubChem CID 108774195) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
PubChem CID108774195
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Nameethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(Nc2ccc(-c3ccc(C)cc3)nn2)c1C(N)=O
InChIInChI=1S/C20H20N4O4/c1-4-27-20(26)16-12(3)28-19(17(16)18(21)25)22-15-10-9-14(23-24-15)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyVHEFKYYXCRKPPN-UHFFFAOYSA-N
XLogP3.37
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-methyl-5-[[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]amino]furan-3,4-dicarboxylate
CID 108776192
ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
CID 108774168
ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108776690
ethyl 4-carbamoyl-5-[[2-(2,5-dimethylbenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9229093
ethyl 4-carbamoyl-2-methyl-5-[(5-propan-2-yl-1,3-benzoxazol-2-yl)amino]furan-3-carboxylate
CID 108774184
ethyl 4-carbamoyl-2-methyl-5-[[2-[(E)-3-(4-methylphenyl)prop-2-enoyl]oxyacetyl]amino]furan-3-carboxylate
CID 8885678
ethyl 4-carbamoyl-2-methyl-5-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]furan-3-carboxylate
CID 108811357
methyl 4-cyano-5-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]-2-methylfuran-3-carboxylate
CID 108774286
ethyl 4-carbamoyl-2-methyl-5-[[2-(2-methylbenzoyl)oxyacetyl]amino]furan-3-carboxylate
CID 9202543
ethyl 4-carbamoyl-2-methyl-5-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]furan-3-carboxylate
CID 46305051
ethyl 4-carbamoyl-2-methyl-5-[(2-phenoxyacetyl)amino]furan-3-carboxylate
CID 108733676
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate (CID 108774195) is ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate is CCOC(=O)c1c(C)oc(Nc2ccc(-c3ccc(C)cc3)nn2)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate?
The InChIKey is VHEFKYYXCRKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-4-27-20(26)16-12(3)28-19(17(16)18(21)25)22-15-10-9-14(23-24-15)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H2,21,25)(H,22,24).
What are the key properties of ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate?
ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-2-methyl-5-[[6-(4-methylphenyl)pyridazin-3-yl]amino]furan-3-carboxylate is sourced from PubChem (CID 108774195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).