6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H28N4O2S — CID 118774167

About 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118774167) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118774167
• Molecular Formula: C21H28N4O2S
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.19
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N(C)C(C)C(=O)NC)csc3C2)nc1
• InChI: InChI=1S/C21H28N4O2S/c1-5-15-6-7-16(23-10-15)11-25-9-8-17-18(13-28-19(17)12-25)21(27)24(4)14(2)20(26)22-3/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3,(H,22,26)
• InChIKey: SONRIBFPYCMJDZ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118774167) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N(C)C(C)C(=O)NC)csc3C2)nc1.

What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is SONRIBFPYCMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-5-15-6-7-16(23-10-15)11-25-9-8-17-18(13-28-19(17)12-25)21(27)24(4)14(2)20(26)22-3/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3,(H,22,26).

What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118774167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).