(2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C20H20N4O5S — CID 91239588

About (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

(2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 91239588) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• PubChem CID: 91239588
• Molecular Formula: C20H20N4O5S
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.12
• IUPAC Name: (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• SMILES: CCC(=O)N(c1ccccn1)c1sc2c(c1C#N)CCN(C(=O)OCC(=O)OC)C2
• InChI: InChI=1S/C20H20N4O5S/c1-3-17(25)24(16-6-4-5-8-22-16)19-14(10-21)13-7-9-23(11-15(13)30-19)20(27)29-12-18(26)28-2/h4-6,8H,3,7,9,11-12H2,1-2H3
• InChIKey: IMWDWZQCDQAQOI-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 112.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The IUPAC name of (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 91239588) is (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

What is the SMILES notation for (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The canonical SMILES for (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCC(=O)N(c1ccccn1)c1sc2c(c1C#N)CCN(C(=O)OCC(=O)OC)C2.

What is the InChIKey of (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The InChIKey is IMWDWZQCDQAQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-3-17(25)24(16-6-4-5-8-22-16)19-14(10-21)13-7-9-23(11-15(13)30-19)20(27)29-12-18(26)28-2/h4-6,8H,3,7,9,11-12H2,1-2H3.

What are the key properties of (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

(2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-2-oxoethyl) 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 91239588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).