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

C23H31N3O3 — CID 11258012

IUPACN-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCCCc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-16-4-6-17(7-5-16)18-8-12-26(13-9-18)22(28)20-19(21(27)25-29)14-23(10-11-23)15-24-20/h4-8,19-20,24,29H,2-3,9-15H2,1H3,(H,25,27)
InChIKeyBYBKPUJIRYCMTB-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.52
Rot. Bonds5

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

N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 11258012) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID11258012
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCCCc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-2-3-16-4-6-17(7-5-16)18-8-12-26(13-9-18)22(28)20-19(21(27)25-29)14-23(10-11-23)15-24-20/h4-8,19-20,24,29H,2-3,9-15H2,1H3,(H,25,27)
InChIKeyBYBKPUJIRYCMTB-UHFFFAOYSA-N
XLogP2.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide with MolForge

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Related Compounds

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CID 44314932
(2R)-N-[(2S)-3-cyclohexyl-1-[[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxy-2-[3-(4-methylphenyl)propyl]butanediamide
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (CID 11258012) is N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is CCCc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)cc1.
What is the InChIKey of N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is BYBKPUJIRYCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-2-3-16-4-6-17(7-5-16)18-8-12-26(13-9-18)22(28)20-19(21(27)25-29)14-23(10-11-23)15-24-20/h4-8,19-20,24,29H,2-3,9-15H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 11258012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).