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

C19H25N3O2S — CID 126444691

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 126444691) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 126444691
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)NC[C@@H](C)O)csc3C2)nc1
• InChI: InChI=1S/C19H25N3O2S/c1-3-14-4-5-15(20-9-14)10-22-7-6-16-17(12-25-18(16)11-22)19(24)21-8-13(2)23/h4-5,9,12-13,23H,3,6-8,10-11H2,1-2H3,(H,21,24)/t13-/m1/s1
• InChIKey: AIOBBSVGNNNRGY-CYBMUJFWSA-N
• XLogP: 2.37
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 126444691) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

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

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

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

The InChIKey is AIOBBSVGNNNRGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-14-4-5-15(20-9-14)10-22-7-6-16-17(12-25-18(16)11-22)19(24)21-8-13(2)23/h4-5,9,12-13,23H,3,6-8,10-11H2,1-2H3,(H,21,24)/t13-/m1/s1.

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 126444691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).