N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide

C34H38N4O5 — CID 159602047

About N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide

N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 159602047) has the molecular formula C34H38N4O5 and a molecular weight of 582.70 g/mol. Its IUPAC name is N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 159602047
• Molecular Formula: C34H38N4O5
• Molecular Weight: 582.70 g/mol
• Exact Mass: 582.28
• IUPAC Name: N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide
• SMILES: COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)NO)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C34H38N4O5/c1-22-31(20-28(39)18-25-16-23(14-15-43-3)17-29(25)24-10-6-4-7-11-24)38(27-12-8-5-9-13-27)35-32(22)26-19-30(33(40)36-42)34(41)37(2)21-26/h4-13,19,21,23,25,29,42H,14-18,20H2,1-3H3,(H,36,40)/t23-,25+,29+/m1/s1
• InChIKey: MLPHKKSWRSTJBD-APJNYFBKSA-N
• XLogP: 5.01
• TPSA: 115.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.70
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide (CID 159602047) is N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide is COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cc(C(=O)NO)c(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.

What is the InChIKey of N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is MLPHKKSWRSTJBD-APJNYFBKSA-N. The full InChI is InChI=1S/C34H38N4O5/c1-22-31(20-28(39)18-25-16-23(14-15-43-3)17-29(25)24-10-6-4-7-11-24)38(27-12-8-5-9-13-27)35-32(22)26-19-30(33(40)36-42)34(41)37(2)21-26/h4-13,19,21,23,25,29,42H,14-18,20H2,1-3H3,(H,36,40)/t23-,25+,29+/m1/s1.

What are the key properties of N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide?

N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 582.70 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-5-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159602047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).