N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide

C21H27N5O4 — CID 127049617

IUPACN-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H27N5O4/c1-2-3-5-16(12-25(29)14-27)20(28)26-13-21(7-8-21)10-17(26)19-23-18(24-30-19)15-6-4-9-22-11-15/h4,6,9,11,14,16-17,29H,2-3,5,7-8,10,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyNKSYWTFNRYKVSW-SJORKVTESA-N
MW413.48 g/mol
LogP2.84
Rot. Bonds9

About N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide

N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide (PubChem CID 127049617) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide
PubChem CID127049617
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC NameN-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H27N5O4/c1-2-3-5-16(12-25(29)14-27)20(28)26-13-21(7-8-21)10-17(26)19-23-18(24-30-19)15-6-4-9-22-11-15/h4,6,9,11,14,16-17,29H,2-3,5,7-8,10,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyNKSYWTFNRYKVSW-SJORKVTESA-N
XLogP2.84
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide (CID 127049617) is N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide?
The InChIKey is NKSYWTFNRYKVSW-SJORKVTESA-N. The full InChI is InChI=1S/C21H27N5O4/c1-2-3-5-16(12-25(29)14-27)20(28)26-13-21(7-8-21)10-17(26)19-23-18(24-30-19)15-6-4-9-22-11-15/h4,6,9,11,14,16-17,29H,2-3,5,7-8,10,12-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide?
N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide has a molecular weight of 413.48 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide is sourced from PubChem (CID 127049617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).