(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

C25H33N5O5 — CID 11363711

IUPAC(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
SMILESCOCCNC(=O)C[C@H]1CN[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3C)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C25H33N5O5/c1-16-11-17(14-26)3-4-20(16)19-5-8-30(9-6-19)25(33)23-21(24(32)29-34)12-18(15-28-23)13-22(31)27-7-10-35-2/h3-5,11,18,21,23,28,34H,6-10,12-13,15H2,1-2H3,(H,27,31)(H,29,32)/t18-,21-,23-/m0/s1
InChIKeyJGMVROZIXMXSHJ-HARLFGEKSA-N
MW483.57 g/mol
LogP0.73
Rot. Bonds8

About (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

(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 (PubChem CID 11363711) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11363711
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name(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
SMILESCOCCNC(=O)C[C@H]1CN[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3C)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C25H33N5O5/c1-16-11-17(14-26)3-4-20(16)19-5-8-30(9-6-19)25(33)23-21(24(32)29-34)12-18(15-28-23)13-22(31)27-7-10-35-2/h3-5,11,18,21,23,28,34H,6-10,12-13,15H2,1-2H3,(H,27,31)(H,29,32)/t18-,21-,23-/m0/s1
InChIKeyJGMVROZIXMXSHJ-HARLFGEKSA-N
XLogP0.73
TPSA143.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,5S)-2-[4-(4-cyano-2-methylphenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-N-hydroxy-5-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 87868022
2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 68649341
N-hydroxy-6-[4-(4-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234787
(2S,3S,5R)-2-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-N-hydroxy-5-[(2-methoxyacetyl)-methylamino]piperidine-3-carboxamide
CID 11431393
[(3S,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl] azetidine-1-carboxylate
CID 87348245
6-[4-(4-cyano-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234341
(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
[5-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)piperidin-3-yl] azetidine-1-carboxylate
CID 87349346
6-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234273
(3aR,6aS)-5-[[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-N-hydroxy-2-N,2-N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2,5-dicarboxamide
CID 57328927
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
[(6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine-1-carbonyl)piperidin-3-yl]methylcarbamic acid
CID 87870438

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCCNC(=O)C[C@H]1CN[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3C)CC2)[C@@H](C(=O)NO)C1.
What is the InChIKey of (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?
The InChIKey is JGMVROZIXMXSHJ-HARLFGEKSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-16-11-17(14-26)3-4-20(16)19-5-8-30(9-6-19)25(33)23-21(24(32)29-34)12-18(15-28-23)13-22(31)27-7-10-35-2/h3-5,11,18,21,23,28,34H,6-10,12-13,15H2,1-2H3,(H,27,31)(H,29,32)/t18-,21-,23-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 483.57 g/mol, XLogP of 0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11363711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).