3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one

C13H21N3O — CID 82043768

IUPAC3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one
SMILESCCCn1c(C)cc(N2CCCC2)c(N)c1=O
InChIInChI=1S/C13H21N3O/c1-3-6-16-10(2)9-11(12(14)13(16)17)15-7-4-5-8-15/h9H,3-8,14H2,1-2H3
InChIKeyYFOHGAZBVMHHDB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one

3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one (PubChem CID 82043768) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one
PubChem CID82043768
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one
SMILESCCCn1c(C)cc(N2CCCC2)c(N)c1=O
InChIInChI=1S/C13H21N3O/c1-3-6-16-10(2)9-11(12(14)13(16)17)15-7-4-5-8-15/h9H,3-8,14H2,1-2H3
InChIKeyYFOHGAZBVMHHDB-UHFFFAOYSA-N
XLogP1.75
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one?
The IUPAC name of 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one (CID 82043768) is 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one is CCCn1c(C)cc(N2CCCC2)c(N)c1=O.
What is the InChIKey of 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one?
The InChIKey is YFOHGAZBVMHHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-6-16-10(2)9-11(12(14)13(16)17)15-7-4-5-8-15/h9H,3-8,14H2,1-2H3.
What are the key properties of 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one?
3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-propyl-4-pyrrolidin-1-ylpyridin-2-one is sourced from PubChem (CID 82043768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).