N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

C22H25FN4O4 — CID 91166814

IUPACN-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCC(O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O4/c1-14(28)25(2)21-13-27(22(30)31-21)16-4-5-18(19(23)11-16)15-3-6-20(24-12-15)26-9-7-17(29)8-10-26/h3-6,11-12,17,21,29H,7-10,13H2,1-2H3/t21-/m0/s1
InChIKeyRDANRERDUBMGRN-NRFANRHFSA-N
MW428.46 g/mol
LogP2.61
Rot. Bonds4

About N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide

N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (PubChem CID 91166814) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
PubChem CID91166814
Molecular FormulaC22H25FN4O4
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC NameN-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCC(O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O4/c1-14(28)25(2)21-13-27(22(30)31-21)16-4-5-18(19(23)11-16)15-3-6-20(24-12-15)26-9-7-17(29)8-10-26/h3-6,11-12,17,21,29H,7-10,13H2,1-2H3/t21-/m0/s1
InChIKeyRDANRERDUBMGRN-NRFANRHFSA-N
XLogP2.61
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The IUPAC name of N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide (CID 91166814) is N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The canonical SMILES for N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CN(c2ccc(-c3ccc(N4CCC(O)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
The InChIKey is RDANRERDUBMGRN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-14(28)25(2)21-13-27(22(30)31-21)16-4-5-18(19(23)11-16)15-3-6-20(24-12-15)26-9-7-17(29)8-10-26/h3-6,11-12,17,21,29H,7-10,13H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide?
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide has a molecular weight of 428.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 91166814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).