N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide

C16H18N2O3 — CID 57066113

IUPACN-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
SMILESO=C(CCCOc1c[nH]ccc1=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-8-9-17-12-15(14)21-10-4-7-16(20)18-11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19)(H,18,20)
InChIKeyXALVQPIZZDOGEX-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.85
Rot. Bonds7

About N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide

N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide (PubChem CID 57066113) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
PubChem CID57066113
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
SMILESO=C(CCCOc1c[nH]ccc1=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-8-9-17-12-15(14)21-10-4-7-16(20)18-11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19)(H,18,20)
InChIKeyXALVQPIZZDOGEX-UHFFFAOYSA-N
XLogP1.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-naphthalen-1-yloxy-N-(4-oxo-1H-pyridin-3-yl)butanamide
CID 51118907
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-6-oxohexanamide
CID 172715262
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide?
The IUPAC name of N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide (CID 57066113) is N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide.
What is the SMILES notation for N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide?
The canonical SMILES for N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide is O=C(CCCOc1c[nH]ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide?
The InChIKey is XALVQPIZZDOGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-8-9-17-12-15(14)21-10-4-7-16(20)18-11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide?
N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide has a molecular weight of 286.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide is sourced from PubChem (CID 57066113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).