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

C17H20N4O3 — CID 122280255

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

N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280255) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 122280255
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: COc1ccc(CNC(=O)C(C)n2nc3c(cc2=O)CCC3)cn1
• InChI: InChI=1S/C17H20N4O3/c1-11(21-16(22)8-13-4-3-5-14(13)20-21)17(23)19-10-12-6-7-15(24-2)18-9-12/h6-9,11H,3-5,10H2,1-2H3,(H,19,23)
• InChIKey: QHLFASXEDMONGY-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280255) is N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

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

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is COc1ccc(CNC(=O)C(C)n2nc3c(cc2=O)CCC3)cn1.

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

The InChIKey is QHLFASXEDMONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(21-16(22)8-13-4-3-5-14(13)20-21)17(23)19-10-12-6-7-15(24-2)18-9-12/h6-9,11H,3-5,10H2,1-2H3,(H,19,23).

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

N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).