N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C23H27N5O3 — CID 135833597

About N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833597) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
• PubChem CID: 135833597
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
• SMILES: CCC(C)N(CCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccco1
• InChI: InChI=1S/C23H27N5O3/c1-3-16(2)27(14-17-7-6-12-31-17)11-10-24-21(29)15-28-23(30)22-19(13-25-28)18-8-4-5-9-20(18)26-22/h4-9,12-13,16,26H,3,10-11,14-15H2,1-2H3,(H,24,29)
• InChIKey: GYSIQQKDBMEJMS-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 96.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The IUPAC name of N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833597) is N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

What is the SMILES notation for N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The canonical SMILES for N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CCC(C)N(CCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccco1.

What is the InChIKey of N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

The InChIKey is GYSIQQKDBMEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-16(2)27(14-17-7-6-12-31-17)11-10-24-21(29)15-28-23(30)22-19(13-25-28)18-8-4-5-9-20(18)26-22/h4-9,12-13,16,26H,3,10-11,14-15H2,1-2H3,(H,24,29).

What are the key properties of N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?

N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).