2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one

C16H28N2O3 — CID 82217424

IUPAC2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1C(C)C
InChIInChI=1S/C16H28N2O3/c1-5-7-17(8-6-2)10-14-16(21)15(20)9-13(11-19)18(14)12(3)4/h9,12,19,21H,5-8,10-11H2,1-4H3
InChIKeyXQNAVQAIDNOORR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.25
Rot. Bonds8

About 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one

2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one (PubChem CID 82217424) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
PubChem CID82217424
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1C(C)C
InChIInChI=1S/C16H28N2O3/c1-5-7-17(8-6-2)10-14-16(21)15(20)9-13(11-19)18(14)12(3)4/h9,12,19,21H,5-8,10-11H2,1-4H3
InChIKeyXQNAVQAIDNOORR-UHFFFAOYSA-N
XLogP2.25
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)pyridin-4-one
CID 82217127
2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid
CID 94958530
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
CID 82217761
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217447
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-propylpyridin-4-one
CID 82217292
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 94958996
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217132
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760

Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one (CID 82217424) is 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one is CCCN(CCC)Cc1c(O)c(=O)cc(CO)n1C(C)C.
What is the InChIKey of 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one?
The InChIKey is XQNAVQAIDNOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-7-17(8-6-2)10-14-16(21)15(20)9-13(11-19)18(14)12(3)4/h9,12,19,21H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one?
2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one has a molecular weight of 296.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 82217424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).