N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide

C24H28N4O3 — CID 126937972

About N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide

N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 126937972) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 126937972
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cc2ccccc2o1
• InChI: InChI=1S/C24H28N4O3/c29-23-15-17-7-5-9-20(17)26-28(23)13-12-27-11-4-3-8-19(27)16-25-24(30)22-14-18-6-1-2-10-21(18)31-22/h1-2,6,10,14-15,19H,3-5,7-9,11-13,16H2,(H,25,30)
• InChIKey: UIFKKFKDCHGJOZ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 126937972) is N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cc2ccccc2o1.

What is the InChIKey of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is UIFKKFKDCHGJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23-15-17-7-5-9-20(17)26-28(23)13-12-27-11-4-3-8-19(27)16-25-24(30)22-14-18-6-1-2-10-21(18)31-22/h1-2,6,10,14-15,19H,3-5,7-9,11-13,16H2,(H,25,30).

What are the key properties of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide?

N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).