N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H27N3OS — CID 118781147

About N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118781147) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118781147
• Molecular Formula: C21H27N3OS
• Molecular Weight: 369.53 g/mol
• Exact Mass: 369.19
• IUPAC Name: N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NC4CCCC4)csc3C2)nc1
• InChI: InChI=1S/C21H27N3OS/c1-2-15-7-8-17(22-11-15)12-24-10-9-18-19(14-26-20(18)13-24)21(25)23-16-5-3-4-6-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,23,25)
• InChIKey: SVKCSHAYNREZSM-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.53
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118781147) is N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC4CCCC4)csc3C2)nc1.

What is the InChIKey of N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is SVKCSHAYNREZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-2-15-7-8-17(22-11-15)12-24-10-9-18-19(14-26-20(18)13-24)21(25)23-16-5-3-4-6-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,23,25).

What are the key properties of N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118781147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).