(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C21H22N4O3 — CID 51496285

About (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 51496285) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
• PubChem CID: 51496285
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
• SMILES: C[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2ccco2)cc(N)c1=O
• InChI: InChI=1S/C21H22N4O3/c1-13(20(26)23-17-9-4-7-14-6-2-3-8-15(14)17)25-21(27)16(22)12-18(24-25)19-10-5-11-28-19/h4-5,7,9-13H,2-3,6,8,22H2,1H3,(H,23,26)/t13-/m0/s1
• InChIKey: BJUJQFMBENZLKH-ZDUSSCGKSA-N
• XLogP: 3.16
• TPSA: 103.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The IUPAC name of (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 51496285) is (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

What is the SMILES notation for (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The canonical SMILES for (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is C[C@@H](C(=O)Nc1cccc2c1CCCC2)n1nc(-c2ccco2)cc(N)c1=O.

What is the InChIKey of (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

The InChIKey is BJUJQFMBENZLKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(20(26)23-17-9-4-7-14-6-2-3-8-15(14)17)25-21(27)16(22)12-18(24-25)19-10-5-11-28-19/h4-5,7,9-13H,2-3,6,8,22H2,1H3,(H,23,26)/t13-/m0/s1.

What are the key properties of (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?

(2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 51496285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).