5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one

C16H18N2O2S — CID 103696371

About 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one

5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103696371) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
• PubChem CID: 103696371
• Molecular Formula: C16H18N2O2S
• Molecular Weight: 302.40 g/mol
• Exact Mass: 302.11
• IUPAC Name: 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
• SMILES: CCC1c2ccsc2CCN1C(=O)c1c[nH]c(C)cc1=O
• InChI: InChI=1S/C16H18N2O2S/c1-3-13-11-5-7-21-15(11)4-6-18(13)16(20)12-9-17-10(2)8-14(12)19/h5,7-9,13H,3-4,6H2,1-2H3,(H,17,19)
• InChIKey: UFBIKGDLMYYQCG-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.40
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one?

The IUPAC name of 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103696371) is 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one.

What is the SMILES notation for 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one?

The canonical SMILES for 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one is CCC1c2ccsc2CCN1C(=O)c1c[nH]c(C)cc1=O.

What is the InChIKey of 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one?

The InChIKey is UFBIKGDLMYYQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-13-11-5-7-21-15(11)4-6-18(13)16(20)12-9-17-10(2)8-14(12)19/h5,7-9,13H,3-4,6H2,1-2H3,(H,17,19).

What are the key properties of 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one?

5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 302.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).