(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide

C18H23FN4O5 — CID 46891574

IUPAC(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C18H23FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h4,6-8,11-13,15,27-28H,2-3,5,9-10H2,1H3/b20-16+/t13-,15+/m1/s1
InChIKeyYVNWBKQGFFFTGX-BZLVTBTQSA-N
MW394.40 g/mol
LogP0.71
Rot. Bonds8

About (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide

(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide (PubChem CID 46891574) has the molecular formula C18H23FN4O5 and a molecular weight of 394.40 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
PubChem CID46891574
Molecular FormulaC18H23FN4O5
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C18H23FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h4,6-8,11-13,15,27-28H,2-3,5,9-10H2,1H3/b20-16+/t13-,15+/m1/s1
InChIKeyYVNWBKQGFFFTGX-BZLVTBTQSA-N
XLogP0.71
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', '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 (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide (CID 46891574) is (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)/N=c1\ccc(F)cn1O.
What is the InChIKey of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is YVNWBKQGFFFTGX-BZLVTBTQSA-N. The full InChI is InChI=1S/C18H23FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h4,6-8,11-13,15,27-28H,2-3,5,9-10H2,1H3/b20-16+/t13-,15+/m1/s1.
What are the key properties of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide?
(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 46891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).