3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one

C16H19ClN2O2 — CID 54695990

IUPAC3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one
SMILESCN(C)CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-18(2)9-10-19-8-7-15(20)14(16(19)21)11-12-3-5-13(17)6-4-12/h3-8,20H,9-11H2,1-2H3
InChIKeyGZIGRIZJTRHIAP-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.36
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one

3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one (PubChem CID 54695990) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one
PubChem CID54695990
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one
SMILESCN(C)CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-18(2)9-10-19-8-7-15(20)14(16(19)21)11-12-3-5-13(17)6-4-12/h3-8,20H,9-11H2,1-2H3
InChIKeyGZIGRIZJTRHIAP-UHFFFAOYSA-N
XLogP2.36
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one (CID 54695990) is 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one is CN(C)CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one?
The InChIKey is GZIGRIZJTRHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-18(2)9-10-19-8-7-15(20)14(16(19)21)11-12-3-5-13(17)6-4-12/h3-8,20H,9-11H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one?
3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54695990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).