1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one

C18H33N3O2 — CID 82218872

IUPAC1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCCN(CCC)Cc1cc(=O)c(O)cn1CCCCN(C)C
InChIInChI=1S/C18H33N3O2/c1-5-9-20(10-6-2)14-16-13-17(22)18(23)15-21(16)12-8-7-11-19(3)4/h13,15,23H,5-12,14H2,1-4H3
InChIKeyLBUGAUJPHPMGMV-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.52
Rot. Bonds11

About 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one

1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one (PubChem CID 82218872) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
PubChem CID82218872
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCCN(CCC)Cc1cc(=O)c(O)cn1CCCCN(C)C
InChIInChI=1S/C18H33N3O2/c1-5-9-20(10-6-2)14-16-13-17(22)18(23)15-21(16)12-8-7-11-19(3)4/h13,15,23H,5-12,14H2,1-4H3
InChIKeyLBUGAUJPHPMGMV-UHFFFAOYSA-N
XLogP2.52
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
CID 82218890
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82218616
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
4-[2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]butanoic acid
CID 94960541
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one (CID 82218872) is 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one is CCCN(CCC)Cc1cc(=O)c(O)cn1CCCCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The InChIKey is LBUGAUJPHPMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-5-9-20(10-6-2)14-16-13-17(22)18(23)15-21(16)12-8-7-11-19(3)4/h13,15,23H,5-12,14H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one has a molecular weight of 323.48 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).