(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide

C19H27FN4O5 — CID 118712591

IUPAC(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1C[C@@H](C)C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C19H27FN4O5/c1-3-4-5-14(10-22(28)12-25)19(27)23-9-13(2)8-16(23)18(26)21-17-7-6-15(20)11-24(17)29/h6-7,11-14,16,28-29H,3-5,8-10H2,1-2H3/b21-17+/t13-,14+,16-/m0/s1
InChIKeyDYBBACQDRKHBOR-YQWLDZTMSA-N
MW410.45 g/mol
LogP1.18
Rot. Bonds8

About (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide

(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 118712591) has the molecular formula C19H27FN4O5 and a molecular weight of 410.45 g/mol. Its IUPAC name is (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID118712591
Molecular FormulaC19H27FN4O5
Molecular Weight410.45 g/mol
Exact Mass410.20
IUPAC Name(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1C[C@@H](C)C[C@H]1C(=O)/N=c1\ccc(F)cn1O
InChIInChI=1S/C19H27FN4O5/c1-3-4-5-14(10-22(28)12-25)19(27)23-9-13(2)8-16(23)18(26)21-17-7-6-15(20)11-24(17)29/h6-7,11-14,16,28-29H,3-5,8-10H2,1-2H3/b21-17+/t13-,14+,16-/m0/s1
InChIKeyDYBBACQDRKHBOR-YQWLDZTMSA-N
XLogP1.18
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.18
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'}

Analyze (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide (CID 118712591) is (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1C[C@@H](C)C[C@H]1C(=O)/N=c1\ccc(F)cn1O.
What is the InChIKey of (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is DYBBACQDRKHBOR-YQWLDZTMSA-N. The full InChI is InChI=1S/C19H27FN4O5/c1-3-4-5-14(10-22(28)12-25)19(27)23-9-13(2)8-16(23)18(26)21-17-7-6-15(20)11-24(17)29/h6-7,11-14,16,28-29H,3-5,8-10H2,1-2H3/b21-17+/t13-,14+,16-/m0/s1.
What are the key properties of (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118712591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).