N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

C25H25F2N3O5S — CID 135349300

About N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 135349300) has the molecular formula C25H25F2N3O5S and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 135349300
• Molecular Formula: C25H25F2N3O5S
• Molecular Weight: 517.55 g/mol
• Exact Mass: 517.15
• IUPAC Name: N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cn1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O
• InChI: InChI=1S/C25H25F2N3O5S/c1-29-11-3-4-19(25(29)32)24(31)28-21-7-6-18(36(2,33)34)15-22(21)30-12-9-17(10-13-30)35-23-8-5-16(26)14-20(23)27/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3,(H,28,31)
• InChIKey: FSMJDIMCCFEAIW-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 135349300) is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O.

What is the InChIKey of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is FSMJDIMCCFEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O5S/c1-29-11-3-4-19(25(29)32)24(31)28-21-7-6-18(36(2,33)34)15-22(21)30-12-9-17(10-13-30)35-23-8-5-16(26)14-20(23)27/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3,(H,28,31).

What are the key properties of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?

N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methylsulfonylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135349300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).