N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C20H20FN5O3 — CID 171386392

About N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 171386392) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
• PubChem CID: 171386392
• Molecular Formula: C20H20FN5O3
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
• SMILES: Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc(-n2cnnc2)ccc1F
• InChI: InChI=1S/C20H20FN5O3/c1-12-7-17(13-3-2-6-22-9-13)29-20(28)18(12)19(27)25-16-8-14(4-5-15(16)21)26-10-23-24-11-26/h4-5,7-8,10-11,13,22H,2-3,6,9H2,1H3,(H,25,27)
• InChIKey: ZJSCGGMIXIKWGE-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The IUPAC name of N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 171386392) is N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The canonical SMILES for N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc(-n2cnnc2)ccc1F.

What is the InChIKey of N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

The InChIKey is ZJSCGGMIXIKWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-12-7-17(13-3-2-6-22-9-13)29-20(28)18(12)19(27)25-16-8-14(4-5-15(16)21)26-10-23-24-11-26/h4-5,7-8,10-11,13,22H,2-3,6,9H2,1H3,(H,25,27).

What are the key properties of N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?

N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 171386392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).