N-butyl-2-(4-oxo-1-pyridinyl)acetamide

C11H16N2O2 — CID 116622191

IUPACN-butyl-2-(4-oxo-1-pyridinyl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-6-12-11(15)9-13-7-4-10(14)5-8-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,12,15)
InChIKeyYIRAHMWCDLHHRQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.76
Rot. Bonds5

About N-butyl-2-(4-oxo-1-pyridinyl)acetamide

N-butyl-2-(4-oxo-1-pyridinyl)acetamide (PubChem CID 116622191) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butyl-2-(4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-oxo-1-pyridinyl)acetamide
PubChem CID116622191
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butyl-2-(4-oxo-1-pyridinyl)acetamide
SMILESCCCCNC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-6-12-11(15)9-13-7-4-10(14)5-8-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,12,15)
InChIKeyYIRAHMWCDLHHRQ-UHFFFAOYSA-N
XLogP0.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-butyl-2-(3-carbamothioyl-2-oxo-1-pyridinyl)acetamide
CID 107017729
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
1-[2-(butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54956643
2-[3-(aminomethyl)pyrrol-1-yl]-N-propylacetamide
CID 66407532
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
CID 79102321

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-butyl-2-(4-oxo-1-pyridinyl)acetamide (CID 116622191) is N-butyl-2-(4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-butyl-2-(4-oxo-1-pyridinyl)acetamide is CCCCNC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of N-butyl-2-(4-oxo-1-pyridinyl)acetamide?
The InChIKey is YIRAHMWCDLHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-6-12-11(15)9-13-7-4-10(14)5-8-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,12,15).
What are the key properties of N-butyl-2-(4-oxo-1-pyridinyl)acetamide?
N-butyl-2-(4-oxo-1-pyridinyl)acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 116622191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).