N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide

C24H23F3N8O4 — CID 58459413

About N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide

N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide (PubChem CID 58459413) has the molecular formula C24H23F3N8O4 and a molecular weight of 544.49 g/mol. Its IUPAC name is N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide
• PubChem CID: 58459413
• Molecular Formula: C24H23F3N8O4
• Molecular Weight: 544.49 g/mol
• Exact Mass: 544.18
• IUPAC Name: N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide
• SMILES: O=C(NCC(=O)N1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1)c1cccnc1F
• InChI: InChI=1S/C24H23F3N8O4/c25-18-10-15(35-14-16(39-24(35)38)13-34-5-4-30-31-34)11-19(26)21(18)33-8-6-32(7-9-33)20(36)12-29-23(37)17-2-1-3-28-22(17)27/h1-5,10-11,16H,6-9,12-14H2,(H,29,37)/t16-/m0/s1
• InChIKey: XUFXEANDFVMBJW-INIZCTEOSA-N
• XLogP: 1.19
• TPSA: 125.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.49
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide?

The IUPAC name of N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide (CID 58459413) is N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide.

What is the SMILES notation for N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide?

The canonical SMILES for N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide is O=C(NCC(=O)N1CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1)c1cccnc1F.

What is the InChIKey of N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide?

The InChIKey is XUFXEANDFVMBJW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23F3N8O4/c25-18-10-15(35-14-16(39-24(35)38)13-34-5-4-30-31-34)11-19(26)21(18)33-8-6-32(7-9-33)20(36)12-29-23(37)17-2-1-3-28-22(17)27/h1-5,10-11,16H,6-9,12-14H2,(H,29,37)/t16-/m0/s1.

What are the key properties of N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide?

N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 544.49 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 58459413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).