1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one

C16H20N2O3 — CID 21474470

IUPAC1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one
SMILESCN(C)CCn1ccc(=O)c(O)c1C(O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-17(2)10-11-18-9-8-13(19)16(21)14(18)15(20)12-6-4-3-5-7-12/h3-9,15,20-21H,10-11H2,1-2H3
InChIKeyAMINRKMILNEWMH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.20
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one

1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one (PubChem CID 21474470) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one
PubChem CID21474470
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one
SMILESCN(C)CCn1ccc(=O)c(O)c1C(O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-17(2)10-11-18-9-8-13(19)16(21)14(18)15(20)12-6-4-3-5-7-12/h3-9,15,20-21H,10-11H2,1-2H3
InChIKeyAMINRKMILNEWMH-UHFFFAOYSA-N
XLogP1.20
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one (CID 21474470) is 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one is CN(C)CCn1ccc(=O)c(O)c1C(O)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The InChIKey is AMINRKMILNEWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17(2)10-11-18-9-8-13(19)16(21)14(18)15(20)12-6-4-3-5-7-12/h3-9,15,20-21H,10-11H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one?
1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-hydroxy-2-[hydroxy(phenyl)methyl]pyridin-4-one is sourced from PubChem (CID 21474470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).