(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide

C23H26N4O4 — CID 87348598

IUPAC(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide
SMILESCN1C[C@@H](Oc2ccncc2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O4/c1-26-15-19(31-18-7-10-24-11-8-18)13-20(22(28)25-30)21(26)23(29)27-12-9-17(14-27)16-5-3-2-4-6-16/h2-11,19-21,30H,12-15H2,1H3,(H,25,28)/t19-,20-,21-/m0/s1
InChIKeyTWMWMDBFDPZREI-ACRUOGEOSA-N
MW422.49 g/mol
LogP1.58
Rot. Bonds5

About (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide

(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide (PubChem CID 87348598) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide
PubChem CID87348598
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide
SMILESCN1C[C@@H](Oc2ccncc2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C23H26N4O4/c1-26-15-19(31-18-7-10-24-11-8-18)13-20(22(28)25-30)21(26)23(29)27-12-9-17(14-27)16-5-3-2-4-6-16/h2-11,19-21,30H,12-15H2,1H3,(H,25,28)/t19-,20-,21-/m0/s1
InChIKeyTWMWMDBFDPZREI-ACRUOGEOSA-N
XLogP1.58
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl] azepane-1-carboxylate
CID 87349142
(2S,3S,5S)-1-ethyl-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxylic acid
CID 67304756
[(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl] (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 87348221
N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
CID 72816020
(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
CID 87348918
5-(3-fluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87869880
5-(3,4-difluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87870555
methyl 3-[(3S,5S,6S)-5-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)piperidin-3-yl]azetidine-1-carboxylate
CID 91524157
[5-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)piperidin-3-yl] azetidine-1-carboxylate
CID 87349346
trans-(1S,2S)-5-(3,4-difluorophenoxy)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530048
cyclohexyl (6S,7S)-7-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 87234517
(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 87348550

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide?
The IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide (CID 87348598) is (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide is CN1C[C@@H](Oc2ccncc2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CC=C(c2ccccc2)C1.
What is the InChIKey of (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide?
The InChIKey is TWMWMDBFDPZREI-ACRUOGEOSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-26-15-19(31-18-7-10-24-11-8-18)13-20(22(28)25-30)21(26)23(29)27-12-9-17(14-27)16-5-3-2-4-6-16/h2-11,19-21,30H,12-15H2,1H3,(H,25,28)/t19-,20-,21-/m0/s1.
What are the key properties of (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide?
(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide is sourced from PubChem (CID 87348598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).