5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one

C13H23N3O — CID 43259625

IUPAC5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one
SMILESCCCCN(CC)CCn1cc(N)ccc1=O
InChIInChI=1S/C13H23N3O/c1-3-5-8-15(4-2)9-10-16-11-12(14)6-7-13(16)17/h6-7,11H,3-5,8-10,14H2,1-2H3
InChIKeyNASOKDRNEHSITB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.55
Rot. Bonds7

About 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one (PubChem CID 43259625) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one
PubChem CID43259625
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one
SMILESCCCCN(CC)CCn1cc(N)ccc1=O
InChIInChI=1S/C13H23N3O/c1-3-5-8-15(4-2)9-10-16-11-12(14)6-7-13(16)17/h6-7,11H,3-5,8-10,14H2,1-2H3
InChIKeyNASOKDRNEHSITB-UHFFFAOYSA-N
XLogP1.55
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one 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 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one (CID 43259625) is 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one is CCCCN(CC)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one?
The InChIKey is NASOKDRNEHSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-8-15(4-2)9-10-16-11-12(14)6-7-13(16)17/h6-7,11H,3-5,8-10,14H2,1-2H3.
What are the key properties of 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[butyl(ethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 43259625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).