2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide

C16H18N4O2 — CID 122279906

About 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide

2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 122279906) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
• PubChem CID: 122279906
• Molecular Formula: C16H18N4O2
• Molecular Weight: 298.35 g/mol
• Exact Mass: 298.14
• IUPAC Name: 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
• SMILES: CC(C(=O)NCc1ccccn1)n1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C16H18N4O2/c1-11(16(22)18-10-13-6-2-3-8-17-13)20-15(21)9-12-5-4-7-14(12)19-20/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,22)
• InChIKey: LOGGSGDPMYSCGS-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.35
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide?

The IUPAC name of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 122279906) is 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

What is the SMILES notation for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide?

The canonical SMILES for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)NCc1ccccn1)n1nc2c(cc1=O)CCC2.

What is the InChIKey of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide?

The InChIKey is LOGGSGDPMYSCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(16(22)18-10-13-6-2-3-8-17-13)20-15(21)9-12-5-4-7-14(12)19-20/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,22).

What are the key properties of 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide?

2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 122279906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).