N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide

C13H20N2O2 — CID 57147211

IUPACN-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide
SMILESCCCCc1ccc(C(C)NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-4-5-6-11-7-8-12(13(17)15-11)9(2)14-10(3)16/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVZBVWTHALNEVME-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide

N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide (PubChem CID 57147211) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide
PubChem CID57147211
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide
SMILESCCCCc1ccc(C(C)NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-4-5-6-11-7-8-12(13(17)15-11)9(2)14-10(3)16/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyVZBVWTHALNEVME-UHFFFAOYSA-N
XLogP1.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide (CID 57147211) is N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide is CCCCc1ccc(C(C)NC(C)=O)c(=O)[nH]1.
What is the InChIKey of N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide?
The InChIKey is VZBVWTHALNEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-6-11-7-8-12(13(17)15-11)9(2)14-10(3)16/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide?
N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-butyl-2-oxo-1H-pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 57147211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).