N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide

C27H26FN3O4 — CID 58045537

IUPACN-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C27H26FN3O4/c1-18(32)4-10-23-17-31(27(34)35-23)22-9-11-24(25(28)15-22)20-7-5-19(6-8-20)12-14-30-26(33)21-3-2-13-29-16-21/h2-3,5-9,11,13,15-16,23H,4,10,12,14,17H2,1H3,(H,30,33)/t23-/m0/s1
InChIKeySFFDQBXBYODJPT-QHCPKHFHSA-N
MW475.52 g/mol
LogP4.55
Rot. Bonds9

About N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide

N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 58045537) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide
PubChem CID58045537
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4cccnc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C27H26FN3O4/c1-18(32)4-10-23-17-31(27(34)35-23)22-9-11-24(25(28)15-22)20-7-5-19(6-8-20)12-14-30-26(33)21-3-2-13-29-16-21/h2-3,5-9,11,13,15-16,23H,4,10,12,14,17H2,1H3,(H,30,33)/t23-/m0/s1
InChIKeySFFDQBXBYODJPT-QHCPKHFHSA-N
XLogP4.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 58045376
(5S)-3-[3-fluoro-4-[4-[4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159185059
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143068609
(pyridin-3-ylamino) [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinate
CID 88863670
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 67016457
methyl 3-[(5S)-3-[3-fluoro-4-[4-[2-(pyridine-3-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 58459522
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-4-ylethylsulfonyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045555
N-[[(5S)-3-[4-[4-[[(2-amino-1-hydroxy-2-pyridin-3-ylethyl)amino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126489314
N-[[(5S)-3-[3-fluoro-4-[4-[[(3-fluoro-4-pyridinyl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403908

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide (CID 58045537) is N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide is CC(=O)CC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4cccnc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is SFFDQBXBYODJPT-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-18(32)4-10-23-17-31(27(34)35-23)22-9-11-24(25(28)15-22)20-7-5-19(6-8-20)12-14-30-26(33)21-3-2-13-29-16-21/h2-3,5-9,11,13,15-16,23H,4,10,12,14,17H2,1H3,(H,30,33)/t23-/m0/s1.
What are the key properties of N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide?
N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58045537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).