[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

C29H29FN6O6 — CID 10188323

IUPAC[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCN(C(=O)COC(=O)c5cccnc5)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H29FN6O6/c1-19(37)32-16-23-17-36(29(40)42-23)22-5-6-24(25(30)13-22)20-4-7-26(33-15-20)34-9-11-35(12-10-34)27(38)18-41-28(39)21-3-2-8-31-14-21/h2-8,13-15,23H,9-12,16-18H2,1H3,(H,32,37)/t23-/m0/s1
InChIKeyDFVMOMMLOFIPOL-QHCPKHFHSA-N
MW576.59 g/mol
LogP2.25
Rot. Bonds8

About [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 10188323) has the molecular formula C29H29FN6O6 and a molecular weight of 576.59 g/mol. Its IUPAC name is [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID10188323
Molecular FormulaC29H29FN6O6
Molecular Weight576.59 g/mol
Exact Mass576.21
IUPAC Name[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCN(C(=O)COC(=O)c5cccnc5)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H29FN6O6/c1-19(37)32-16-23-17-36(29(40)42-23)22-5-6-24(25(30)13-22)20-4-7-26(33-15-20)34-9-11-35(12-10-34)27(38)18-41-28(39)21-3-2-8-31-14-21/h2-8,13-15,23H,9-12,16-18H2,1H3,(H,32,37)/t23-/m0/s1
InChIKeyDFVMOMMLOFIPOL-QHCPKHFHSA-N
XLogP2.25
TPSA134.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.59
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (CID 10188323) is [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCN(C(=O)COC(=O)c5cccnc5)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is DFVMOMMLOFIPOL-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H29FN6O6/c1-19(37)32-16-23-17-36(29(40)42-23)22-5-6-24(25(30)13-22)20-4-7-26(33-15-20)34-9-11-35(12-10-34)27(38)18-41-28(39)21-3-2-8-31-14-21/h2-8,13-15,23H,9-12,16-18H2,1H3,(H,32,37)/t23-/m0/s1.
What are the key properties of [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
[2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 576.59 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 10188323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).