N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

C22H24N4O3 — CID 53024441

About N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (PubChem CID 53024441) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
• PubChem CID: 53024441
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
• SMILES: CC(Cc1ccco1)NC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21
• InChI: InChI=1S/C22H24N4O3/c1-15(13-16-7-6-12-29-16)24-20(27)10-5-11-26-19-9-4-3-8-17(19)18-14-23-25(2)22(28)21(18)26/h3-4,6-9,12,14-15H,5,10-11,13H2,1-2H3,(H,24,27)
• InChIKey: GDFCULDPIJLVEO-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (CID 53024441) is N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.

What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is CC(Cc1ccco1)NC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21.

What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

The InChIKey is GDFCULDPIJLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(13-16-7-6-12-29-16)24-20(27)10-5-11-26-19-9-4-3-8-17(19)18-14-23-25(2)22(28)21(18)26/h3-4,6-9,12,14-15H,5,10-11,13H2,1-2H3,(H,24,27).

What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?

N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide has a molecular weight of 392.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is sourced from PubChem (CID 53024441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).