5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one

C16H19Cl2N3O — CID 70127587

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one
SMILESCN(C)CCNc1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19Cl2N3O/c1-20(2)8-7-19-15-9-14(18)11-21(16(15)22)10-12-3-5-13(17)6-4-12/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyGEDBCVBYAVMNNJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.18
Rot. Bonds6

About 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one

5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one (PubChem CID 70127587) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one
PubChem CID70127587
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one
SMILESCN(C)CCNc1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19Cl2N3O/c1-20(2)8-7-19-15-9-14(18)11-21(16(15)22)10-12-3-5-13(17)6-4-12/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyGEDBCVBYAVMNNJ-UHFFFAOYSA-N
XLogP3.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one (CID 70127587) is 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one is CN(C)CCNc1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one?
The InChIKey is GEDBCVBYAVMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-20(2)8-7-19-15-9-14(18)11-21(16(15)22)10-12-3-5-13(17)6-4-12/h3-6,9,11,19H,7-8,10H2,1-2H3.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one?
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one has a molecular weight of 340.25 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethylamino]pyridin-2-one is sourced from PubChem (CID 70127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).