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

C12H18N2O2 — CID 19012316

IUPACN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCCCCc1ccc(CNC(C)=O)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-3-4-5-11-7-6-10(12(16)14-11)8-13-9(2)15/h6-7H,3-5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWRDTUSUYHLWJRO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds5

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

N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 19012316) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID19012316
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCCCCc1ccc(CNC(C)=O)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-3-4-5-11-7-6-10(12(16)14-11)8-13-9(2)15/h6-7H,3-5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyWRDTUSUYHLWJRO-UHFFFAOYSA-N
XLogP1.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 19012316) is N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is CCCCc1ccc(CNC(C)=O)c(=O)[nH]1.
What is the InChIKey of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is WRDTUSUYHLWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-5-11-7-6-10(12(16)14-11)8-13-9(2)15/h6-7H,3-5,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 19012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).