N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide

C13H20N2O2 — CID 10776209

IUPACN-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-4-5-6-13(17)15-10(2)12-9-11(16)7-8-14-12/h7-10H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJUQWHPDAYRAZAH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.13
Rot. Bonds6

About N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide

N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide (PubChem CID 10776209) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide
PubChem CID10776209
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NC(C)c1cc(=O)cc[nH]1
InChIInChI=1S/C13H20N2O2/c1-3-4-5-6-13(17)15-10(2)12-9-11(16)7-8-14-12/h7-10H,3-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJUQWHPDAYRAZAH-UHFFFAOYSA-N
XLogP2.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide?
The IUPAC name of N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide (CID 10776209) is N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide.
What is the SMILES notation for N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide?
The canonical SMILES for N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide is CCCCCC(=O)NC(C)c1cc(=O)cc[nH]1.
What is the InChIKey of N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide?
The InChIKey is JUQWHPDAYRAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-5-6-13(17)15-10(2)12-9-11(16)7-8-14-12/h7-10H,3-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide?
N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide has a molecular weight of 236.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-1H-pyridin-2-yl)ethyl]hexanamide is sourced from PubChem (CID 10776209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).