N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide

C21H23F2N5O5 — CID 70891457

IUPACN-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)C(=O)NCCNc1c(F)cc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C21H23F2N5O5/c1-12(27-20(31)13-3-2-4-24-9-13)19(30)26-6-5-25-18-16(22)7-14(8-17(18)23)28-10-15(11-29)33-21(28)32/h2-4,7-9,12,15,25,29H,5-6,10-11H2,1H3,(H,26,30)(H,27,31)/t12-,15+/m0/s1
InChIKeyCSQVFQQSHCOXTE-SWLSCSKDSA-N
MW463.44 g/mol
LogP1.02
Rot. Bonds9

About N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 70891457) has the molecular formula C21H23F2N5O5 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID70891457
Molecular FormulaC21H23F2N5O5
Molecular Weight463.44 g/mol
Exact Mass463.17
IUPAC NameN-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)C(=O)NCCNc1c(F)cc(N2C[C@H](CO)OC2=O)cc1F
InChIInChI=1S/C21H23F2N5O5/c1-12(27-20(31)13-3-2-4-24-9-13)19(30)26-6-5-25-18-16(22)7-14(8-17(18)23)28-10-15(11-29)33-21(28)32/h2-4,7-9,12,15,25,29H,5-6,10-11H2,1H3,(H,26,30)(H,27,31)/t12-,15+/m0/s1
InChIKeyCSQVFQQSHCOXTE-SWLSCSKDSA-N
XLogP1.02
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

ethyl N-[[3-[3,5-difluoro-4-[2-[[(2R)-2-(pyridine-3-carbonylamino)propanoyl]amino]ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 143999635
methyl N-[[3-[3,5-difluoro-4-[4-[2-(pyridine-3-carbonylamino)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 77428622
N-[(2S)-1-[4-[2-fluoro-4-[(5S)-5-[3-(1,2-oxazol-5-yl)propyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 58459434
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
[3-[3,5-difluoro-4-[4-[3-oxo-4-(pyridine-3-carbonylamino)butan-2-yl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl ethyl carbonate
CID 91527249
[3-[3,5-difluoro-4-[4-[1-hydroxy-2-(pyridine-3-carbonylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl ethyl carbonate
CID 91415993
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
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 122212314
N-[[(5S)-3-[3-fluoro-4-[2-(pyridin-3-ylcarbamothioylamino)ethylamino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142864449
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 70891457) is N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1)C(=O)NCCNc1c(F)cc(N2C[C@H](CO)OC2=O)cc1F.
What is the InChIKey of N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is CSQVFQQSHCOXTE-SWLSCSKDSA-N. The full InChI is InChI=1S/C21H23F2N5O5/c1-12(27-20(31)13-3-2-4-24-9-13)19(30)26-6-5-25-18-16(22)7-14(8-17(18)23)28-10-15(11-29)33-21(28)32/h2-4,7-9,12,15,25,29H,5-6,10-11H2,1H3,(H,26,30)(H,27,31)/t12-,15+/m0/s1.
What are the key properties of N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 1.02, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]anilino]ethylamino]-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70891457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).