3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one

C14H14Cl2N2O — CID 82466957

IUPAC3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(Cl)cc2Cl)ccc(N)c1=O
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)18-13(6-5-12(17)14(18)19)10-4-3-9(15)7-11(10)16/h3-8H,17H2,1-2H3
InChIKeyRVIMTHVETDTGQV-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.99
Rot. Bonds2

About 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one

3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82466957) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82466957
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(Cl)cc2Cl)ccc(N)c1=O
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)18-13(6-5-12(17)14(18)19)10-4-3-9(15)7-11(10)16/h3-8H,17H2,1-2H3
InChIKeyRVIMTHVETDTGQV-UHFFFAOYSA-N
XLogP3.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one (CID 82466957) is 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one is CC(C)n1c(-c2ccc(Cl)cc2Cl)ccc(N)c1=O.
What is the InChIKey of 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is RVIMTHVETDTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(2)18-13(6-5-12(17)14(18)19)10-4-3-9(15)7-11(10)16/h3-8H,17H2,1-2H3.
What are the key properties of 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one?
3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 297.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,4-dichlorophenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82466957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).