1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

C14H19F3N4O2 — CID 120811165

About 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 120811165) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
• PubChem CID: 120811165
• Molecular Formula: C14H19F3N4O2
• Molecular Weight: 332.33 g/mol
• Exact Mass: 332.15
• IUPAC Name: 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
• SMILES: Cn1cc(C(=O)NCC(N2CCNCC2)C(F)(F)F)ccc1=O
• InChI: InChI=1S/C14H19F3N4O2/c1-20-9-10(2-3-12(20)22)13(23)19-8-11(14(15,16)17)21-6-4-18-5-7-21/h2-3,9,11,18H,4-8H2,1H3,(H,19,23)
• InChIKey: DZSHFBJMAYTLMY-UHFFFAOYSA-N
• XLogP: -0.05
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.33
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?

The IUPAC name of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 120811165) is 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is Cn1cc(C(=O)NCC(N2CCNCC2)C(F)(F)F)ccc1=O.

What is the InChIKey of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?

The InChIKey is DZSHFBJMAYTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-20-9-10(2-3-12(20)22)13(23)19-8-11(14(15,16)17)21-6-4-18-5-7-21/h2-3,9,11,18H,4-8H2,1H3,(H,19,23).

What are the key properties of 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?

1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 120811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).