(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C19H30N4O3 — CID 58763284

IUPAC(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)CN1CCC[C@H]1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H30N4O3/c1-3-4-6-16(13-23(26)14-24)12-22-10-5-7-17(22)19(25)21-18-11-15(2)8-9-20-18/h8-9,11,14,16-17,26H,3-7,10,12-13H2,1-2H3,(H,20,21,25)/t16-,17-/m0/s1
InChIKeyIVLJNSHQKHEOFT-IRXDYDNUSA-N
MW362.47 g/mol
LogP2.45
Rot. Bonds10

About (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 58763284) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID58763284
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)CN1CCC[C@H]1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C19H30N4O3/c1-3-4-6-16(13-23(26)14-24)12-22-10-5-7-17(22)19(25)21-18-11-15(2)8-9-20-18/h8-9,11,14,16-17,26H,3-7,10,12-13H2,1-2H3,(H,20,21,25)/t16-,17-/m0/s1
InChIKeyIVLJNSHQKHEOFT-IRXDYDNUSA-N
XLogP2.45
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.45
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-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 58763284) is (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)CN1CCC[C@H]1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is IVLJNSHQKHEOFT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-4-6-16(13-23(26)14-24)12-22-10-5-7-17(22)19(25)21-18-11-15(2)8-9-20-18/h8-9,11,14,16-17,26H,3-7,10,12-13H2,1-2H3,(H,20,21,25)/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 58763284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).