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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Related Compounds

N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67550647
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
phenyl 4-[5-[4-[(5S)-5-[acetyl(methyl)amino]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 90761515
N-[(5S)-3-[3-fluoro-4-[6-[5-(trichloromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91142246
N-[3-[3-fluoro-4-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67577632
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461303
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 91226102
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
N-[[3-[4-[6-[1-[(dimethylamino)methyl]cyclopropyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72980514

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).