6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid

C22H24FN5O5 — CID 57190452

IUPAC6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C(=O)O)cn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN5O5/c1-14(29)24-12-17-13-28(22(32)33-17)16-3-4-19(18(23)10-16)26-6-8-27(9-7-26)20-5-2-15(11-25-20)21(30)31/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,29)(H,30,31)/t17-/m0/s1
InChIKeyLPJMPZQIMJLCHM-KRWDZBQOSA-N
MW457.46 g/mol
LogP1.71
Rot. Bonds6

About 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 57190452) has the molecular formula C22H24FN5O5 and a molecular weight of 457.46 g/mol. Its IUPAC name is 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID57190452
Molecular FormulaC22H24FN5O5
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C(=O)O)cn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H24FN5O5/c1-14(29)24-12-17-13-28(22(32)33-17)16-3-4-19(18(23)10-16)26-6-8-27(9-7-26)20-5-2-15(11-25-20)21(30)31/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,29)(H,30,31)/t17-/m0/s1
InChIKeyLPJMPZQIMJLCHM-KRWDZBQOSA-N
XLogP1.71
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 57190452) is 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C(=O)O)cn4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LPJMPZQIMJLCHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24FN5O5/c1-14(29)24-12-17-13-28(22(32)33-17)16-3-4-19(18(23)10-16)26-6-8-27(9-7-26)20-5-2-15(11-25-20)21(30)31/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,29)(H,30,31)/t17-/m0/s1.
What are the key properties of 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 457.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 57190452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).