1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide

C19H26N4O4 — CID 126935967

About 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 126935967) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
• PubChem CID: 126935967
• Molecular Formula: C19H26N4O4
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide
• SMILES: CN1CC(C(=O)NC2CCC(n3nc4c(cc3=O)COCC4)CC2)CC1=O
• InChI: InChI=1S/C19H26N4O4/c1-22-10-12(8-17(22)24)19(26)20-14-2-4-15(5-3-14)23-18(25)9-13-11-27-7-6-16(13)21-23/h9,12,14-15H,2-8,10-11H2,1H3,(H,20,26)
• InChIKey: CMDPIPFMTXNOCE-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide (CID 126935967) is 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCC(n3nc4c(cc3=O)COCC4)CC2)CC1=O.

What is the InChIKey of 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide?

The InChIKey is CMDPIPFMTXNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-22-10-12(8-17(22)24)19(26)20-14-2-4-15(5-3-14)23-18(25)9-13-11-27-7-6-16(13)21-23/h9,12,14-15H,2-8,10-11H2,1H3,(H,20,26).

What are the key properties of 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide?

1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-oxo-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126935967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).