6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride

C16H21Cl2N5O2S — CID 118270490

About 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride

6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride (PubChem CID 118270490) has the molecular formula C16H21Cl2N5O2S and a molecular weight of 418.35 g/mol. Its IUPAC name is 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 118270490
• Molecular Formula: C16H21Cl2N5O2S
• Molecular Weight: 418.35 g/mol
• Exact Mass: 417.08
• IUPAC Name: 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
• SMILES: CCN1CCc2c(sc(NC(=O)Nc3cccnc3)c2C(N)=O)C1.Cl.Cl
• InChI: InChI=1S/C16H19N5O2S.2ClH/c1-2-21-7-5-11-12(9-21)24-15(13(11)14(17)22)20-16(23)19-10-4-3-6-18-8-10;;/h3-4,6,8H,2,5,7,9H2,1H3,(H2,17,22)(H2,19,20,23);2*1H
• InChIKey: MFGMDSUONAKHJU-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 100.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.35
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride (CID 118270490) is 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride is CCN1CCc2c(sc(NC(=O)Nc3cccnc3)c2C(N)=O)C1.Cl.Cl.

What is the InChIKey of 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?

The InChIKey is MFGMDSUONAKHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S.2ClH/c1-2-21-7-5-11-12(9-21)24-15(13(11)14(17)22)20-16(23)19-10-4-3-6-18-8-10;;/h3-4,6,8H,2,5,7,9H2,1H3,(H2,17,22)(H2,19,20,23);2*1H.

What are the key properties of 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?

6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 418.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 118270490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).