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

C22H29N3O4 — CID 87234787

IUPACN-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-14-11-16(29-2)3-4-17(14)15-5-9-25(10-6-15)21(27)19-18(20(26)24-28)12-22(7-8-22)13-23-19/h3-5,11,18-19,23,28H,6-10,12-13H2,1-2H3,(H,24,26)
InChIKeyKECDGFIGJPQYLI-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.88
Rot. Bonds4

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

N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234787) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234787
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-14-11-16(29-2)3-4-17(14)15-5-9-25(10-6-15)21(27)19-18(20(26)24-28)12-22(7-8-22)13-23-19/h3-5,11,18-19,23,28H,6-10,12-13H2,1-2H3,(H,24,26)
InChIKeyKECDGFIGJPQYLI-UHFFFAOYSA-N
XLogP1.88
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.88
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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Related Compounds

6-[4-(4-cyano-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234341
N-hydroxy-6-[4-(4-propylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 11258012
N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234430
(6S,7S)-N-hydroxy-5-methyl-6-[4-(2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87653039
6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757401
(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234723
N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234398
(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234692
6-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234273
6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757368
(2S,3S,5S)-2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-hydroxy-5-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 11363711
methyl (6S,7S)-7-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 11625778

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (CID 87234787) is N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-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-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is COc1ccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)NO)CC2)c(C)c1.
What is the InChIKey of N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is KECDGFIGJPQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-14-11-16(29-2)3-4-17(14)15-5-9-25(10-6-15)21(27)19-18(20(26)24-28)12-22(7-8-22)13-23-19/h3-5,11,18-19,23,28H,6-10,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).