(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide

C21H32FN5O4 — CID 143338723

IUPAC(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide
SMILESCCCCCCCC(CN(O)C=O)C(=O)N1C[C@H](F)CC[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C21H32FN5O4/c1-2-3-4-5-6-7-16(13-26(31)15-28)21(30)27-14-17(22)8-9-18(27)20(29)25-19-12-23-10-11-24-19/h10-12,15-18,31H,2-9,13-14H2,1H3,(H,24,25,29)/t16?,17-,18+/m1/s1
InChIKeyGUHFKWMVSKHPCX-RWZMTBSZSA-N
MW437.52 g/mol
LogP2.57
Rot. Bonds12

About (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide

(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide (PubChem CID 143338723) has the molecular formula C21H32FN5O4 and a molecular weight of 437.52 g/mol. Its IUPAC name is (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide
PubChem CID143338723
Molecular FormulaC21H32FN5O4
Molecular Weight437.52 g/mol
Exact Mass437.24
IUPAC Name(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide
SMILESCCCCCCCC(CN(O)C=O)C(=O)N1C[C@H](F)CC[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C21H32FN5O4/c1-2-3-4-5-6-7-16(13-26(31)15-28)21(30)27-14-17(22)8-9-18(27)20(29)25-19-12-23-10-11-24-19/h10-12,15-18,31H,2-9,13-14H2,1H3,(H,24,25,29)/t16?,17-,18+/m1/s1
InChIKeyGUHFKWMVSKHPCX-RWZMTBSZSA-N
XLogP2.57
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 24849322
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
(6S)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-pyrimidin-4-yl-5-azaspiro[2.4]heptane-6-carboxamide
CID 138728803
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
1-[4-cyclopropyl-2-[[formyl(oxan-2-yloxy)amino]methyl]butanoyl]-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 76652330
2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-pyridazin-3-ylpyrazolidine-3-carboxamide
CID 77136768
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
N-hydroxy-N-[(2R)-2-[(2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 10455515

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide (CID 143338723) is (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide is CCCCCCCC(CN(O)C=O)C(=O)N1C[C@H](F)CC[C@H]1C(=O)Nc1cnccn1.
What is the InChIKey of (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide?
The InChIKey is GUHFKWMVSKHPCX-RWZMTBSZSA-N. The full InChI is InChI=1S/C21H32FN5O4/c1-2-3-4-5-6-7-16(13-26(31)15-28)21(30)27-14-17(22)8-9-18(27)20(29)25-19-12-23-10-11-24-19/h10-12,15-18,31H,2-9,13-14H2,1H3,(H,24,25,29)/t16?,17-,18+/m1/s1.
What are the key properties of (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide?
(2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.57, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-fluoro-1-[2-[[formyl(hydroxy)amino]methyl]nonanoyl]-N-pyrazin-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 143338723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).