(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C17H24FN5O4 — CID 24849322

IUPAC(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C17H24FN5O4/c1-2-3-4-12(9-22(27)11-24)17(26)23-10-13(18)7-14(23)16(25)21-15-8-19-5-6-20-15/h5-6,8,11-14,27H,2-4,7,9-10H2,1H3,(H,20,21,25)/t12-,13-,14+/m1/s1
InChIKeyPCTAVCRDYMXJEV-MCIONIFRSA-N
MW381.41 g/mol
LogP1.01
Rot. Bonds9

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

(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 24849322) has the molecular formula C17H24FN5O4 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID24849322
Molecular FormulaC17H24FN5O4
Molecular Weight381.41 g/mol
Exact Mass381.18
IUPAC Name(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C17H24FN5O4/c1-2-3-4-12(9-22(27)11-24)17(26)23-10-13(18)7-14(23)16(25)21-15-8-19-5-6-20-15/h5-6,8,11-14,27H,2-4,7,9-10H2,1H3,(H,20,21,25)/t12-,13-,14+/m1/s1
InChIKeyPCTAVCRDYMXJEV-MCIONIFRSA-N
XLogP1.01
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.01
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide
CID 143338723
1-[4-cyclopropyl-2-[[formyl(oxan-2-yloxy)amino]methyl]butanoyl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 76652330
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-pyridazin-3-ylpyrazolidine-3-carboxamide
CID 77136768
N-hydroxy-N-[(2R)-2-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 10455515
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
N-pyrazin-2-ylpentanamide
CID 91469646
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
N-[(2R)-2-[(2S)-2-formyl-2,5-dihydropyrrole-1-carbonyl]hexyl]-N-hydroxyformamide
CID 138641122

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 24849322) is (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PCTAVCRDYMXJEV-MCIONIFRSA-N. The full InChI is InChI=1S/C17H24FN5O4/c1-2-3-4-12(9-22(27)11-24)17(26)23-10-13(18)7-14(23)16(25)21-15-8-19-5-6-20-15/h5-6,8,11-14,27H,2-4,7,9-10H2,1H3,(H,20,21,25)/t12-,13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24849322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).