(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

C22H29N3O3 — CID 87234723

IUPAC(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)CC=C1c1ccccc1
InChIInChI=1S/C22H29N3O3/c1-21(2)14-25(11-8-17(21)15-6-4-3-5-7-15)20(27)18-16(19(26)24-28)12-22(9-10-22)13-23-18/h3-8,16,18,23,28H,9-14H2,1-2H3,(H,24,26)/t16-,18-/m0/s1
InChIKeyQXACGXNJORQLHF-WMZOPIPTSA-N
MW383.49 g/mol
LogP2.20
Rot. Bonds3

About (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234723) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234723
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)CC=C1c1ccccc1
InChIInChI=1S/C22H29N3O3/c1-21(2)14-25(11-8-17(21)15-6-4-3-5-7-15)20(27)18-16(19(26)24-28)12-22(9-10-22)13-23-18/h3-8,16,18,23,28H,9-14H2,1-2H3,(H,24,26)/t16-,18-/m0/s1
InChIKeyQXACGXNJORQLHF-WMZOPIPTSA-N
XLogP2.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.20
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'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (CID 87234723) is (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is CC1(C)CN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)CC=C1c1ccccc1.
What is the InChIKey of (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is QXACGXNJORQLHF-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-21(2)14-25(11-8-17(21)15-6-4-3-5-7-15)20(27)18-16(19(26)24-28)12-22(9-10-22)13-23-18/h3-8,16,18,23,28H,9-14H2,1-2H3,(H,24,26)/t16-,18-/m0/s1.
What are the key properties of (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).