N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C15H17N5O3 — CID 137067448

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 137067448) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 137067448
• Molecular Formula: C15H17N5O3
• Molecular Weight: 315.33 g/mol
• Exact Mass: 315.13
• IUPAC Name: N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: Cc1cc(=O)[nH]c(NC(=O)C(C)n2nc3c(cc2=O)CCC3)n1
• InChI: InChI=1S/C15H17N5O3/c1-8-6-12(21)17-15(16-8)18-14(23)9(2)20-13(22)7-10-4-3-5-11(10)19-20/h6-7,9H,3-5H2,1-2H3,(H2,16,17,18,21,23)
• InChIKey: XOCRVFGOZYPDAT-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.33
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 137067448) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is Cc1cc(=O)[nH]c(NC(=O)C(C)n2nc3c(cc2=O)CCC3)n1.

What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The InChIKey is XOCRVFGOZYPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-8-6-12(21)17-15(16-8)18-14(23)9(2)20-13(22)7-10-4-3-5-11(10)19-20/h6-7,9H,3-5H2,1-2H3,(H2,16,17,18,21,23).

What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 315.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 137067448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).