(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide

C18H26N4O4 — CID 58763315

IUPAC(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC[C@H]1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C18H26N4O4/c1-3-4-5-14(11-21(26)12-23)18(25)22-9-8-15(22)17(24)20-16-7-6-13(2)10-19-16/h6-7,10,12,14-15,26H,3-5,8-9,11H2,1-2H3,(H,19,20,24)/t14-,15+/m1/s1
InChIKeyNMAZLMCSTAZBSM-CABCVRRESA-N
MW362.43 g/mol
LogP1.58
Rot. Bonds9

About (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide (PubChem CID 58763315) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
PubChem CID58763315
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CC[C@H]1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C18H26N4O4/c1-3-4-5-14(11-21(26)12-23)18(25)22-9-8-15(22)17(24)20-16-7-6-13(2)10-19-16/h6-7,10,12,14-15,26H,3-5,8-9,11H2,1-2H3,(H,19,20,24)/t14-,15+/m1/s1
InChIKeyNMAZLMCSTAZBSM-CABCVRRESA-N
XLogP1.58
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methyl-2-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide (CID 58763315) is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CC[C@H]1C(=O)Nc1ccc(C)cn1.
What is the InChIKey of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide?
The InChIKey is NMAZLMCSTAZBSM-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-4-5-14(11-21(26)12-23)18(25)22-9-8-15(22)17(24)20-16-7-6-13(2)10-19-16/h6-7,10,12,14-15,26H,3-5,8-9,11H2,1-2H3,(H,19,20,24)/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide?
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 58763315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).