N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide

C22H22N4O2 — CID 122280057

About N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide

N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 122280057) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

• Compound Name: N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide
• PubChem CID: 122280057
• Molecular Formula: C22H22N4O2
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide
• SMILES: CC(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C22H22N4O2/c1-16(26-21(27)14-18-10-7-11-19(18)24-26)22(28)25(20-12-5-6-13-23-20)15-17-8-3-2-4-9-17/h2-6,8-9,12-14,16H,7,10-11,15H2,1H3
• InChIKey: WHISOEPUEOEKPV-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 68.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide?

The IUPAC name of N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide (CID 122280057) is N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide.

What is the SMILES notation for N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide?

The canonical SMILES for N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide is CC(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc2c(cc1=O)CCC2.

What is the InChIKey of N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide?

The InChIKey is WHISOEPUEOEKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(26-21(27)14-18-10-7-11-19(18)24-26)22(28)25(20-12-5-6-13-23-20)15-17-8-3-2-4-9-17/h2-6,8-9,12-14,16H,7,10-11,15H2,1H3.

What are the key properties of N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide?

N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 122280057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).