N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

C21H26N4O3 — CID 95089811

About N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide

N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 95089811) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 95089811
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: CC(C)CCNC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O
• InChI: InChI=1S/C21H26N4O3/c1-14(2)10-11-22-19(26)13-24-20(27)9-8-17(23-24)21(28)25-15(3)12-16-6-4-5-7-18(16)25/h4-9,14-15H,10-13H2,1-3H3,(H,22,26)/t15-/m0/s1
• InChIKey: KZCBLXMBIUISSP-HNNXBMFYSA-N
• XLogP: 2.00
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide (CID 95089811) is N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is CC(C)CCNC(=O)Cn1nc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O.

What is the InChIKey of N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is KZCBLXMBIUISSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)10-11-22-19(26)13-24-20(27)9-8-17(23-24)21(28)25-15(3)12-16-6-4-5-7-18(16)25/h4-9,14-15H,10-13H2,1-3H3,(H,22,26)/t15-/m0/s1.

What are the key properties of N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide?

N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 95089811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).