methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate

C19H19N3O6S — CID 42278322

IUPACmethyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccoc3)c(C(=O)OC)sc2n1
InChIInChI=1S/C19H19N3O6S/c1-22(9-14(23)26-2)8-12-4-5-13-15(21-17(24)11-6-7-28-10-11)16(19(25)27-3)29-18(13)20-12/h4-7,10H,8-9H2,1-3H3,(H,21,24)
InChIKeyKXNCSZYEBIFIKJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.53
Rot. Bonds7

About methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 42278322) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID42278322
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Namemethyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccoc3)c(C(=O)OC)sc2n1
InChIInChI=1S/C19H19N3O6S/c1-22(9-14(23)26-2)8-12-4-5-13-15(21-17(24)11-6-7-28-10-11)16(19(25)27-3)29-18(13)20-12/h4-7,10H,8-9H2,1-3H3,(H,21,24)
InChIKeyKXNCSZYEBIFIKJ-UHFFFAOYSA-N
XLogP2.53
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate (CID 42278322) is methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccoc3)c(C(=O)OC)sc2n1.
What is the InChIKey of methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is KXNCSZYEBIFIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-22(9-14(23)26-2)8-12-4-5-13-15(21-17(24)11-6-7-28-10-11)16(19(25)27-3)29-18(13)20-12/h4-7,10H,8-9H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 417.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-3-carbonylamino)-6-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 42278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).