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

C20H24N4O2S — CID 126425421

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 126425421) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 126425421
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCNC4=O)csc3C2)nc1
• InChI: InChI=1S/C20H24N4O2S/c1-2-13-3-4-14(22-9-13)10-24-8-6-15-16(12-27-18(15)11-24)19(25)23-17-5-7-21-20(17)26/h3-4,9,12,17H,2,5-8,10-11H2,1H3,(H,21,26)(H,23,25)/t17-/m0/s1
• InChIKey: XIUDBSJATVUYRR-KRWDZBQOSA-N
• XLogP: 1.88
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	1.88
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-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 126425421) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-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-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCNC4=O)csc3C2)nc1.

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

The InChIKey is XIUDBSJATVUYRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-13-3-4-14(22-9-13)10-24-8-6-15-16(12-27-18(15)11-24)19(25)23-17-5-7-21-20(17)26/h3-4,9,12,17H,2,5-8,10-11H2,1H3,(H,21,26)(H,23,25)/t17-/m0/s1.

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

6-[(5-ethyl-2-pyridinyl)methyl]-N-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 1.88, 5 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-[(3S)-2-oxopyrrolidin-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 126425421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).