(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide

C17H23FN4O5 — CID 118712588

IUPAC(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O)N(O)C=O
InChIInChI=1S/C17H23FN4O5/c1-2-3-5-14(22(27)11-23)17(25)20-9-4-6-13(20)16(24)19-15-8-7-12(18)10-21(15)26/h7-8,10-11,13-14,26-27H,2-6,9H2,1H3/b19-15+/t13-,14-/m0/s1
InChIKeyVVFHQBGHXRPACH-DWHBMJICSA-N
MW382.39 g/mol
LogP0.69
Rot. Bonds7

About (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide

(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 118712588) has the molecular formula C17H23FN4O5 and a molecular weight of 382.39 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID118712588
Molecular FormulaC17H23FN4O5
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O)N(O)C=O
InChIInChI=1S/C17H23FN4O5/c1-2-3-5-14(22(27)11-23)17(25)20-9-4-6-13(20)16(24)19-15-8-7-12(18)10-21(15)26/h7-8,10-11,13-14,26-27H,2-6,9H2,1H3/b19-15+/t13-,14-/m0/s1
InChIKeyVVFHQBGHXRPACH-DWHBMJICSA-N
XLogP0.69
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 50.69
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': '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-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide (CID 118712588) is (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1O)N(O)C=O.
What is the InChIKey of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is VVFHQBGHXRPACH-DWHBMJICSA-N. The full InChI is InChI=1S/C17H23FN4O5/c1-2-3-5-14(22(27)11-23)17(25)20-9-4-6-13(20)16(24)19-15-8-7-12(18)10-21(15)26/h7-8,10-11,13-14,26-27H,2-6,9H2,1H3/b19-15+/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide?
(2S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 0.69, 7 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-[(2S)-2-[formyl(hydroxy)amino]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118712588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).