ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C24H28F2N6O6 — CID 143999635

About ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 143999635) has the molecular formula C24H28F2N6O6 and a molecular weight of 534.52 g/mol. Its IUPAC name is ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 143999635
• Molecular Formula: C24H28F2N6O6
• Molecular Weight: 534.52 g/mol
• Exact Mass: 534.20
• IUPAC Name: ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: CCOC(=O)NCC1CN(c2cc(F)c(NCCNC(=O)[C@@H](C)NC(=O)c3cccnc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H28F2N6O6/c1-3-37-23(35)30-12-17-13-32(24(36)38-17)16-9-18(25)20(19(26)10-16)28-7-8-29-21(33)14(2)31-22(34)15-5-4-6-27-11-15/h4-6,9-11,14,17,28H,3,7-8,12-13H2,1-2H3,(H,29,33)(H,30,35)(H,31,34)/t14-,17?/m1/s1
• InChIKey: UBMWTCGZZOKPFA-XPCCGILXSA-N
• XLogP: 1.78
• TPSA: 150.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.52
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 143999635) is ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CCOC(=O)NCC1CN(c2cc(F)c(NCCNC(=O)[C@@H](C)NC(=O)c3cccnc3)c(F)c2)C(=O)O1.

What is the InChIKey of ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is UBMWTCGZZOKPFA-XPCCGILXSA-N. The full InChI is InChI=1S/C24H28F2N6O6/c1-3-37-23(35)30-12-17-13-32(24(36)38-17)16-9-18(25)20(19(26)10-16)28-7-8-29-21(33)14(2)31-22(34)15-5-4-6-27-11-15/h4-6,9-11,14,17,28H,3,7-8,12-13H2,1-2H3,(H,29,33)(H,30,35)(H,31,34)/t14-,17?/m1/s1.

What are the key properties of ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 534.52 g/mol, XLogP of 1.78, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 143999635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).