N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide

C25H32N4O4 — CID 159255040

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)CCc1cnc2ccccc2c1
InChIInChI=1S/C25H32N4O4/c30-17-28(33)16-21(13-18-5-1-2-6-18)25(32)29-23(11-12-27-29)24(31)10-9-19-14-20-7-3-4-8-22(20)26-15-19/h3-4,7-8,14-15,17-18,21,23,27,33H,1-2,5-6,9-13,16H2/t21-,23+/m1/s1
InChIKeyKVUBMWCVVTYHMK-GGAORHGYSA-N
MW452.56 g/mol
LogP2.89
Rot. Bonds10

About N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide (PubChem CID 159255040) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
PubChem CID159255040
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)CCc1cnc2ccccc2c1
InChIInChI=1S/C25H32N4O4/c30-17-28(33)16-21(13-18-5-1-2-6-18)25(32)29-23(11-12-27-29)24(31)10-9-19-14-20-7-3-4-8-22(20)26-15-19/h3-4,7-8,14-15,17-18,21,23,27,33H,1-2,5-6,9-13,16H2/t21-,23+/m1/s1
InChIKeyKVUBMWCVVTYHMK-GGAORHGYSA-N
XLogP2.89
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide (CID 159255040) is N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1NCC[C@H]1C(=O)CCc1cnc2ccccc2c1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
The InChIKey is KVUBMWCVVTYHMK-GGAORHGYSA-N. The full InChI is InChI=1S/C25H32N4O4/c30-17-28(33)16-21(13-18-5-1-2-6-18)25(32)29-23(11-12-27-29)24(31)10-9-19-14-20-7-3-4-8-22(20)26-15-19/h3-4,7-8,14-15,17-18,21,23,27,33H,1-2,5-6,9-13,16H2/t21-,23+/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide has a molecular weight of 452.56 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[(5S)-5-(3-quinolin-3-ylpropanoyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide is sourced from PubChem (CID 159255040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).