N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide

C18H23N3O3S — CID 87234430

IUPACN-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccsc2)CC1
InChIInChI=1S/C18H23N3O3S/c22-16(20-24)14-9-18(4-5-18)11-19-15(14)17(23)21-6-1-12(2-7-21)13-3-8-25-10-13/h1,3,8,10,14-15,19,24H,2,4-7,9,11H2,(H,20,22)
InChIKeyFPUYDCQZFLZTBP-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.63
Rot. Bonds3

About N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide

N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234430) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234430
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccsc2)CC1
InChIInChI=1S/C18H23N3O3S/c22-16(20-24)14-9-18(4-5-18)11-19-15(14)17(23)21-6-1-12(2-7-21)13-3-8-25-10-13/h1,3,8,10,14-15,19,24H,2,4-7,9,11H2,(H,20,22)
InChIKeyFPUYDCQZFLZTBP-UHFFFAOYSA-N
XLogP1.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide (CID 87234430) is N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide is O=C(NO)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccsc2)CC1.
What is the InChIKey of N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is FPUYDCQZFLZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-16(20-24)14-9-18(4-5-18)11-19-15(14)17(23)21-6-1-12(2-7-21)13-3-8-25-10-13/h1,3,8,10,14-15,19,24H,2,4-7,9,11H2,(H,20,22).
What are the key properties of N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide?
N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).