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

C19H20N4O3S — CID 91528680

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

ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 91528680) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• PubChem CID: 91528680
• Molecular Formula: C19H20N4O3S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.13
• IUPAC Name: ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• SMILES: CCOC(=O)N1CCc2c(sc(N(C(=O)CC)c3ccccn3)c2C#N)C1
• InChI: InChI=1S/C19H20N4O3S/c1-3-17(24)23(16-7-5-6-9-21-16)18-14(11-20)13-8-10-22(12-15(13)27-18)19(25)26-4-2/h5-7,9H,3-4,8,10,12H2,1-2H3
• InChIKey: GFXWNXCNNGARLM-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 86.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 91528680) is ethyl 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 ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The canonical SMILES for ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(N(C(=O)CC)c3ccccn3)c2C#N)C1.

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

The InChIKey is GFXWNXCNNGARLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-17(24)23(16-7-5-6-9-21-16)18-14(11-20)13-8-10-22(12-15(13)27-18)19(25)26-4-2/h5-7,9H,3-4,8,10,12H2,1-2H3.

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

ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-cyano-2-[propanoyl(pyridin-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 91528680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).