4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide

C28H28F2N8O5 — CID 137301394

IUPAC4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccnc(C(=O)NO)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C28H28F2N8O5/c1-16-23(17-8-9-31-21(13-17)27(39)36-41)35-38(19-6-4-3-5-7-19)26(16)34-28(40)33-22-15-37(10-11-42-2)43-24(22)18-12-20(29)25(30)32-14-18/h3-9,12-14,22,24,41H,10-11,15H2,1-2H3,(H,36,39)(H2,33,34,40)/t22-,24+/m1/s1
InChIKeyUWAZLYNJAUVWFS-VWNXMTODSA-N
MW594.58 g/mol
LogP3.16
Rot. Bonds9

About 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide

4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide (PubChem CID 137301394) has the molecular formula C28H28F2N8O5 and a molecular weight of 594.58 g/mol. Its IUPAC name is 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide
PubChem CID137301394
Molecular FormulaC28H28F2N8O5
Molecular Weight594.58 g/mol
Exact Mass594.22
IUPAC Name4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccnc(C(=O)NO)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1
InChIInChI=1S/C28H28F2N8O5/c1-16-23(17-8-9-31-21(13-17)27(39)36-41)35-38(19-6-4-3-5-7-19)26(16)34-28(40)33-22-15-37(10-11-42-2)43-24(22)18-12-20(29)25(30)32-14-18/h3-9,12-14,22,24,41H,10-11,15H2,1-2H3,(H,36,39)(H2,33,34,40)/t22-,24+/m1/s1
InChIKeyUWAZLYNJAUVWFS-VWNXMTODSA-N
XLogP3.16
TPSA155.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.58
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide?
The IUPAC name of 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide (CID 137301394) is 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccnc(C(=O)NO)c3)nn2-c2ccccc2)[C@H](c2cnc(F)c(F)c2)O1.
What is the InChIKey of 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide?
The InChIKey is UWAZLYNJAUVWFS-VWNXMTODSA-N. The full InChI is InChI=1S/C28H28F2N8O5/c1-16-23(17-8-9-31-21(13-17)27(39)36-41)35-38(19-6-4-3-5-7-19)26(16)34-28(40)33-22-15-37(10-11-42-2)43-24(22)18-12-20(29)25(30)32-14-18/h3-9,12-14,22,24,41H,10-11,15H2,1-2H3,(H,36,39)(H2,33,34,40)/t22-,24+/m1/s1.
What are the key properties of 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide?
4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide has a molecular weight of 594.58 g/mol, XLogP of 3.16, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(4R,5S)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 137301394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).