N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H28FN5O4 — CID 126489314

About N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 126489314) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 126489314
• Molecular Formula: C26H28FN5O4
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.21
• IUPAC Name: N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(O)C(N)c4cccnc4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C26H28FN5O4/c1-16(33)30-14-21-15-32(26(35)36-21)20-8-9-22(23(27)11-20)18-6-4-17(5-7-18)12-31-25(34)24(28)19-3-2-10-29-13-19/h2-11,13,21,24-25,31,34H,12,14-15,28H2,1H3,(H,30,33)/t21-,24?,25?/m0/s1
• InChIKey: CDFSQYGHIIBRCC-ANYOXOOPSA-N
• XLogP: 2.46
• TPSA: 129.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 126489314) is N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNC(O)C(N)c4cccnc4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is CDFSQYGHIIBRCC-ANYOXOOPSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-16(33)30-14-21-15-32(26(35)36-21)20-8-9-22(23(27)11-20)18-6-4-17(5-7-18)12-31-25(34)24(28)19-3-2-10-29-13-19/h2-11,13,21,24-25,31,34H,12,14-15,28H2,1H3,(H,30,33)/t21-,24?,25?/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 493.54 g/mol, XLogP of 2.46, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 126489314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).