2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

C23H23N3O2 — CID 97147749

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (PubChem CID 97147749) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
• PubChem CID: 97147749
• Molecular Formula: C23H23N3O2
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.18
• IUPAC Name: 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
• SMILES: O=C(C[C@@H]1CCc2ccccc21)NCCn1nc(-c2ccccc2)ccc1=O
• InChI: InChI=1S/C23H23N3O2/c27-22(16-19-11-10-17-6-4-5-9-20(17)19)24-14-15-26-23(28)13-12-21(25-26)18-7-2-1-3-8-18/h1-9,12-13,19H,10-11,14-16H2,(H,24,27)/t19-/m0/s1
• InChIKey: VGAWHGBAVLVHHK-IBGZPJMESA-N
• XLogP: 3.15
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?

The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (CID 97147749) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is O=C(C[C@@H]1CCc2ccccc21)NCCn1nc(-c2ccccc2)ccc1=O.

What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?

The InChIKey is VGAWHGBAVLVHHK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(16-19-11-10-17-6-4-5-9-20(17)19)24-14-15-26-23(28)13-12-21(25-26)18-7-2-1-3-8-18/h1-9,12-13,19H,10-11,14-16H2,(H,24,27)/t19-/m0/s1.

What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 97147749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).