N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde

C25H30F2N6O5 — CID 143999412

About N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde

N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde (PubChem CID 143999412) has the molecular formula C25H30F2N6O5 and a molecular weight of 532.55 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde
• PubChem CID: 143999412
• Molecular Formula: C25H30F2N6O5
• Molecular Weight: 532.55 g/mol
• Exact Mass: 532.22
• IUPAC Name: N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde
• SMILES: CNCC(=O)N1CCN(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1.O=Cc1cccnc1
• InChI: InChI=1S/C19H25F2N5O4.C6H5NO/c1-12(27)23-9-14-11-26(19(29)30-14)13-7-15(20)18(16(21)8-13)25-5-3-24(4-6-25)17(28)10-22-2;8-5-6-2-1-3-7-4-6/h7-8,14,22H,3-6,9-11H2,1-2H3,(H,23,27);1-5H
• InChIKey: VKNSLCDPQJYLHE-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 124.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.55
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde?

The IUPAC name of N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde (CID 143999412) is N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde.

What is the SMILES notation for N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde?

The canonical SMILES for N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde is CNCC(=O)N1CCN(c2c(F)cc(N3CC(CNC(C)=O)OC3=O)cc2F)CC1.O=Cc1cccnc1.

What is the InChIKey of N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde?

The InChIKey is VKNSLCDPQJYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O4.C6H5NO/c1-12(27)23-9-14-11-26(19(29)30-14)13-7-15(20)18(16(21)8-13)25-5-3-24(4-6-25)17(28)10-22-2;8-5-6-2-1-3-7-4-6/h7-8,14,22H,3-6,9-11H2,1-2H3,(H,23,27);1-5H.

What are the key properties of N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde?

N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde has a molecular weight of 532.55 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;pyridine-3-carbaldehyde is sourced from PubChem (CID 143999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).