5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

C14H23N3O — CID 57228449

IUPAC5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1c(CN2CCCC2)c(N)c[nH]c1=O
InChIInChI=1S/C14H23N3O/c1-2-3-6-11-12(10-17-7-4-5-8-17)13(15)9-16-14(11)18/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeySTCNULGKQVEXMY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 57228449) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID57228449
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1c(CN2CCCC2)c(N)c[nH]c1=O
InChIInChI=1S/C14H23N3O/c1-2-3-6-11-12(10-17-7-4-5-8-17)13(15)9-16-14(11)18/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeySTCNULGKQVEXMY-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-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-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (CID 57228449) is 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is CCCCc1c(CN2CCCC2)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is STCNULGKQVEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-6-11-12(10-17-7-4-5-8-17)13(15)9-16-14(11)18/h9H,2-8,10,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57228449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).