3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide

C18H19N5OS — CID 136553226

About 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide

3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide (PubChem CID 136553226) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
• PubChem CID: 136553226
• Molecular Formula: C18H19N5OS
• Molecular Weight: 353.45 g/mol
• Exact Mass: 353.13
• IUPAC Name: 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
• SMILES: N#CCC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1
• InChI: InChI=1S/C18H19N5OS/c19-6-3-13-10-23(11-13)18(24)21-15-1-2-17(20-9-15)22-7-4-16-14(12-22)5-8-25-16/h1-2,5,8-9,13H,3-4,7,10-12H2,(H,21,24)
• InChIKey: YOPUSHNBRHGSTH-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 72.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?

The IUPAC name of 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide (CID 136553226) is 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide.

What is the SMILES notation for 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?

The canonical SMILES for 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide is N#CCC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1.

What is the InChIKey of 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?

The InChIKey is YOPUSHNBRHGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c19-6-3-13-10-23(11-13)18(24)21-15-1-2-17(20-9-15)22-7-4-16-14(12-22)5-8-25-16/h1-2,5,8-9,13H,3-4,7,10-12H2,(H,21,24).

What are the key properties of 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?

3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide is sourced from PubChem (CID 136553226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).