(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide

C17H25N5O4 — CID 24849282

IUPAC(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cccnn1
InChIInChI=1S/C17H25N5O4/c1-2-3-6-13(11-21(26)12-23)17(25)22-10-5-7-14(22)16(24)19-15-8-4-9-18-20-15/h4,8-9,12-14,26H,2-3,5-7,10-11H2,1H3,(H,19,20,24)/t13-,14+/m1/s1
InChIKeyWHPXILCERSVJEO-KGLIPLIRSA-N
MW363.42 g/mol
LogP1.06
Rot. Bonds9

About (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide (PubChem CID 24849282) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
PubChem CID24849282
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cccnn1
InChIInChI=1S/C17H25N5O4/c1-2-3-6-13(11-21(26)12-23)17(25)22-10-5-7-14(22)16(24)19-15-8-4-9-18-20-15/h4,8-9,12-14,26H,2-3,5-7,10-11H2,1H3,(H,19,20,24)/t13-,14+/m1/s1
InChIKeyWHPXILCERSVJEO-KGLIPLIRSA-N
XLogP1.06
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.06
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 (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide (CID 24849282) is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1cccnn1.
What is the InChIKey of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is WHPXILCERSVJEO-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-2-3-6-13(11-21(26)12-23)17(25)22-10-5-7-14(22)16(24)19-15-8-4-9-18-20-15/h4,8-9,12-14,26H,2-3,5-7,10-11H2,1H3,(H,19,20,24)/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridazin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24849282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).