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

C22H29N3O4 — CID 87234692

IUPAC(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCOCC1=C(c2ccccc2)CCN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)C1
InChIInChI=1S/C22H29N3O4/c1-29-13-16-12-25(10-7-17(16)15-5-3-2-4-6-15)21(27)19-18(20(26)24-28)11-22(8-9-22)14-23-19/h2-6,18-19,23,28H,7-14H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyHBHUKOMALYNTPT-OALUTQOASA-N
MW399.49 g/mol
LogP1.58
Rot. Bonds5

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

(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234692) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234692
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
SMILESCOCC1=C(c2ccccc2)CCN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)C1
InChIInChI=1S/C22H29N3O4/c1-29-13-16-12-25(10-7-17(16)15-5-3-2-4-6-15)21(27)19-18(20(26)24-28)11-22(8-9-22)14-23-19/h2-6,18-19,23,28H,7-14H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChIKeyHBHUKOMALYNTPT-OALUTQOASA-N
XLogP1.58
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.58
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 (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (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) is (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is COCC1=C(c2ccccc2)CCN(C(=O)[C@H]2NCC3(CC3)C[C@@H]2C(=O)NO)C1.
What is the InChIKey of (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is HBHUKOMALYNTPT-OALUTQOASA-N. The full InChI is InChI=1S/C22H29N3O4/c1-29-13-16-12-25(10-7-17(16)15-5-3-2-4-6-15)21(27)19-18(20(26)24-28)11-22(8-9-22)14-23-19/h2-6,18-19,23,28H,7-14H2,1H3,(H,24,26)/t18-,19-/m0/s1.
What are the key properties of (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-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 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).