potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C20H20FKN6O5 — CID 121493846

About potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121493846) has the molecular formula C20H20FKN6O5 and a molecular weight of 482.51 g/mol. Its IUPAC name is potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 121493846
• Molecular Formula: C20H20FKN6O5
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.11
• IUPAC Name: potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
• SMILES: Cc1nnc(C(=O)NC(C)(C)[c-]2nc(C(=O)NCc3ccc(F)cc3)c(=O)c(=O)n2C)o1.[K+]
• InChI: InChI=1S/C20H20FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8H,9H2,1-4H3,(H,22,29)(H,24,30);/q-1;+1
• InChIKey: XVFRUHSYAKTGIT-UHFFFAOYSA-N
• XLogP: -2.71
• TPSA: 149.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	-2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 121493846) is potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)NC(C)(C)[c-]2nc(C(=O)NCc3ccc(F)cc3)c(=O)c(=O)n2C)o1.[K+].

What is the InChIKey of potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is XVFRUHSYAKTGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8H,9H2,1-4H3,(H,22,29)(H,24,30);/q-1;+1.

What are the key properties of potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?

potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 482.51 g/mol, XLogP of -2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-5,6-dioxopyrimidin-2-id-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121493846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).