4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one

C15H16ClN3O — CID 110170526

IUPAC4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one
SMILESNc1ccn(-c2ccccc2Cl)c(=O)c1N1CCCC1
InChIInChI=1S/C15H16ClN3O/c16-11-5-1-2-6-13(11)19-10-7-12(17)14(15(19)20)18-8-3-4-9-18/h1-2,5-7,10H,3-4,8-9,17H2
InChIKeyYZDHJRQCARMGHG-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.67
Rot. Bonds2

About 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one

4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one (PubChem CID 110170526) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one
PubChem CID110170526
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one
SMILESNc1ccn(-c2ccccc2Cl)c(=O)c1N1CCCC1
InChIInChI=1S/C15H16ClN3O/c16-11-5-1-2-6-13(11)19-10-7-12(17)14(15(19)20)18-8-3-4-9-18/h1-2,5-7,10H,3-4,8-9,17H2
InChIKeyYZDHJRQCARMGHG-UHFFFAOYSA-N
XLogP2.67
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one?
The IUPAC name of 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one (CID 110170526) is 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one.
What is the SMILES notation for 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one?
The canonical SMILES for 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one is Nc1ccn(-c2ccccc2Cl)c(=O)c1N1CCCC1.
What is the InChIKey of 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one?
The InChIKey is YZDHJRQCARMGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-11-5-1-2-6-13(11)19-10-7-12(17)14(15(19)20)18-8-3-4-9-18/h1-2,5-7,10H,3-4,8-9,17H2.
What are the key properties of 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one?
4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one has a molecular weight of 289.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chlorophenyl)-3-pyrrolidin-1-ylpyridin-2-one is sourced from PubChem (CID 110170526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).