2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H18N4O3S — CID 72866403

About 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72866403) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 72866403
• Molecular Formula: C18H18N4O3S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.11
• IUPAC Name: 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: COc1nc2c(cc1C(=O)NCc1noc(Cc3cccs3)n1)CCC2
• InChI: InChI=1S/C18H18N4O3S/c1-24-18-13(8-11-4-2-6-14(11)20-18)17(23)19-10-15-21-16(25-22-15)9-12-5-3-7-26-12/h3,5,7-8H,2,4,6,9-10H2,1H3,(H,19,23)
• InChIKey: LWDXROCUSYDKMO-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72866403) is 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCc1noc(Cc3cccs3)n1)CCC2.

What is the InChIKey of 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is LWDXROCUSYDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-18-13(8-11-4-2-6-14(11)20-18)17(23)19-10-15-21-16(25-22-15)9-12-5-3-7-26-12/h3,5,7-8H,2,4,6,9-10H2,1H3,(H,19,23).

What are the key properties of 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72866403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).