2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide

C25H24FN5O4 — CID 58757155

IUPAC2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide
SMILESNC(C(=O)NCc1ccc(-c2ccc(N3C[C@H](CNC=O)OC3=O)cc2F)cc1)c1cccnc1
InChIInChI=1S/C25H24FN5O4/c26-22-10-19(31-14-20(13-29-15-32)35-25(31)34)7-8-21(22)17-5-3-16(4-6-17)11-30-24(33)23(27)18-2-1-9-28-12-18/h1-10,12,15,20,23H,11,13-14,27H2,(H,29,32)(H,30,33)/t20-,23?/m0/s1
InChIKeyOIHHQENHYFFGLK-AJZOCDQUSA-N
MW477.50 g/mol
LogP2.28
Rot. Bonds9

About 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide

2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide (PubChem CID 58757155) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide
PubChem CID58757155
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide
SMILESNC(C(=O)NCc1ccc(-c2ccc(N3C[C@H](CNC=O)OC3=O)cc2F)cc1)c1cccnc1
InChIInChI=1S/C25H24FN5O4/c26-22-10-19(31-14-20(13-29-15-32)35-25(31)34)7-8-21(22)17-5-3-16(4-6-17)11-30-24(33)23(27)18-2-1-9-28-12-18/h1-10,12,15,20,23H,11,13-14,27H2,(H,29,32)(H,30,33)/t20-,23?/m0/s1
InChIKeyOIHHQENHYFFGLK-AJZOCDQUSA-N
XLogP2.28
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

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-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 67016457
(2R)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-2-aminobutanamide
CID 11189943
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
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(pyridin-3-ylamino) [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinate
CID 88863670
(2R)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-2-(2,2-dimethyl-4-oxo-1,3-oxazetidin-3-yl)propanamide
CID 142997022
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 142987296
ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142997006
N-[[3-[3-fluoro-4-[4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404201

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide (CID 58757155) is 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide is NC(C(=O)NCc1ccc(-c2ccc(N3C[C@H](CNC=O)OC3=O)cc2F)cc1)c1cccnc1.
What is the InChIKey of 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide?
The InChIKey is OIHHQENHYFFGLK-AJZOCDQUSA-N. The full InChI is InChI=1S/C25H24FN5O4/c26-22-10-19(31-14-20(13-29-15-32)35-25(31)34)7-8-21(22)17-5-3-16(4-6-17)11-30-24(33)23(27)18-2-1-9-28-12-18/h1-10,12,15,20,23H,11,13-14,27H2,(H,29,32)(H,30,33)/t20-,23?/m0/s1.
What are the key properties of 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide?
2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide has a molecular weight of 477.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 58757155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).