magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

C18H23FMgN4O5 — CID 10387321

IUPACmagnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1[O-].[Mg+2]
InChIInChI=1S/C18H23FN4O5.Mg/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;/h7-8,11-13,15H,2-6,9-10H2,1H3;/q-2;+2/b20-16+;/t13-,15+;/m1./s1
InChIKeyXMRVYNKCKDMVDU-IMKGVRLASA-N
MW418.71 g/mol
LogP0.77
Rot. Bonds8

About magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (PubChem CID 10387321) has the molecular formula C18H23FMgN4O5 and a molecular weight of 418.71 g/mol. Its IUPAC name is magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namemagnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
PubChem CID10387321
Molecular FormulaC18H23FMgN4O5
Molecular Weight418.71 g/mol
Exact Mass418.15
IUPAC Namemagnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1[O-].[Mg+2]
InChIInChI=1S/C18H23FN4O5.Mg/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;/h7-8,11-13,15H,2-6,9-10H2,1H3;/q-2;+2/b20-16+;/t13-,15+;/m1./s1
InChIKeyXMRVYNKCKDMVDU-IMKGVRLASA-N
XLogP0.77
TPSA121.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.71
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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 magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide (CID 10387321) is magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is CCCC[C@H](CN([O-])C=O)C(=O)N1CCC[C@H]1C(=O)/N=c1\ccc(F)cn1[O-].[Mg+2].
What is the InChIKey of magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is XMRVYNKCKDMVDU-IMKGVRLASA-N. The full InChI is InChI=1S/C18H23FN4O5.Mg/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;/h7-8,11-13,15H,2-6,9-10H2,1H3;/q-2;+2/b20-16+;/t13-,15+;/m1./s1.
What are the key properties of magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide?
magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 418.71 g/mol, XLogP of 0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (2S)-N-(5-fluoro-1-oxido-2-pyridinylidene)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10387321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).