N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H28FN5O4 — CID 67551168

IUPACN-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCC(NC(C)=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN5O4/c1-15(31)26-13-20-14-30(24(33)34-20)19-4-5-21(22(25)11-19)17-3-6-23(27-12-17)29-9-7-18(8-10-29)28-16(2)32/h3-6,11-12,18,20H,7-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t20-/m0/s1
InChIKeyLQHKTPQFMMDHPB-FQEVSTJZSA-N
MW469.52 g/mol
LogP2.45
Rot. Bonds6

About N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 67551168) has the molecular formula C24H28FN5O4 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID67551168
Molecular FormulaC24H28FN5O4
Molecular Weight469.52 g/mol
Exact Mass469.21
IUPAC NameN-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCC(NC(C)=O)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN5O4/c1-15(31)26-13-20-14-30(24(33)34-20)19-4-5-21(22(25)11-19)17-3-6-23(27-12-17)29-9-7-18(8-10-29)28-16(2)32/h3-6,11-12,18,20H,7-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t20-/m0/s1
InChIKeyLQHKTPQFMMDHPB-FQEVSTJZSA-N
XLogP2.45
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[4-[6-[1-[(dimethylamino)methyl]cyclopropyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72980514
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[3-fluoro-4-[6-(4-methyl-5,6-dihydro-1,2,4-oxadiazin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 77140833
N-[[(5S)-3-[4-[6-[(E)-(1,1-dioxo-1,4-thiazinan-4-yl)iminomethyl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155532476
N-[[(5S)-3-[3-fluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11430579
N-[[3-[3-fluoro-4-[6-(pyrazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274076
N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274157

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 67551168) is N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCC(NC(C)=O)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LQHKTPQFMMDHPB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28FN5O4/c1-15(31)26-13-20-14-30(24(33)34-20)19-4-5-21(22(25)11-19)17-3-6-23(27-12-17)29-9-7-18(8-10-29)28-16(2)32/h3-6,11-12,18,20H,7-10,13-14H2,1-2H3,(H,26,31)(H,28,32)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 469.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 67551168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).