N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

C18H21N3O3 — CID 111110665

About N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (PubChem CID 111110665) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
• PubChem CID: 111110665
• Molecular Formula: C18H21N3O3
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
• SMILES: Cc1ccc(=O)n(CC(=O)NCC2(O)CCCc3ccccc32)n1
• InChI: InChI=1S/C18H21N3O3/c1-13-8-9-17(23)21(20-13)11-16(22)19-12-18(24)10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7-9,24H,4,6,10-12H2,1H3,(H,19,22)
• InChIKey: LSFRKDQZOBUIPA-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?

The IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide (CID 111110665) is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide.

What is the SMILES notation for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?

The canonical SMILES for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is Cc1ccc(=O)n(CC(=O)NCC2(O)CCCc3ccccc32)n1.

What is the InChIKey of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?

The InChIKey is LSFRKDQZOBUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-9-17(23)21(20-13)11-16(22)19-12-18(24)10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7-9,24H,4,6,10-12H2,1H3,(H,19,22).

What are the key properties of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide?

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 111110665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).