[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

C22H29N3OS — CID 126431331

About [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 126431331) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
• PubChem CID: 126431331
• Molecular Formula: C22H29N3OS
• Molecular Weight: 383.56 g/mol
• Exact Mass: 383.20
• IUPAC Name: [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H](C)C4)csc3C2)nc1
• InChI: InChI=1S/C22H29N3OS/c1-3-17-6-7-18(23-11-17)13-24-10-8-19-20(15-27-21(19)14-24)22(26)25-9-4-5-16(2)12-25/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3/t16-/m1/s1
• InChIKey: IGEYEHNUEWLACF-MRXNPFEDSA-N
• XLogP: 4.14
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.56
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The IUPAC name of [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 126431331) is [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

What is the SMILES notation for [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The canonical SMILES for [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H](C)C4)csc3C2)nc1.

What is the InChIKey of [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?

The InChIKey is IGEYEHNUEWLACF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-3-17-6-7-18(23-11-17)13-24-10-8-19-20(15-27-21(19)14-24)22(26)25-9-4-5-16(2)12-25/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3/t16-/m1/s1.

What are the key properties of [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?

[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 383.56 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 126431331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).