N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C15H21N3O3 — CID 154769738

IUPACN-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N=c2ccn(O)cc2)CC1=O
InChIInChI=1S/C15H21N3O3/c1-3-13(4-2)18-10-11(9-14(18)19)15(20)16-12-5-7-17(21)8-6-12/h5-8,11,13,21H,3-4,9-10H2,1-2H3
InChIKeyQZNWVIRIHVEXAT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.19
Rot. Bonds4

About N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 154769738) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID154769738
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N=c2ccn(O)cc2)CC1=O
InChIInChI=1S/C15H21N3O3/c1-3-13(4-2)18-10-11(9-14(18)19)15(20)16-12-5-7-17(21)8-6-12/h5-8,11,13,21H,3-4,9-10H2,1-2H3
InChIKeyQZNWVIRIHVEXAT-UHFFFAOYSA-N
XLogP1.19
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 154769738) is N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)N=c2ccn(O)cc2)CC1=O.
What is the InChIKey of N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is QZNWVIRIHVEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-13(4-2)18-10-11(9-14(18)19)15(20)16-12-5-7-17(21)8-6-12/h5-8,11,13,21H,3-4,9-10H2,1-2H3.
What are the key properties of N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 154769738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).