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

C16H28N2O2 — CID 82218171

IUPAC1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCCCn1cc(O)c(=O)cc1CN(CCC)CCC
InChIInChI=1S/C16H28N2O2/c1-4-7-10-18-13-16(20)15(19)11-14(18)12-17(8-5-2)9-6-3/h11,13,20H,4-10,12H2,1-3H3
InChIKeyONPKVQQCDXGBRQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.98
Rot. Bonds9

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

1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one (PubChem CID 82218171) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
PubChem CID82218171
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
SMILESCCCCn1cc(O)c(=O)cc1CN(CCC)CCC
InChIInChI=1S/C16H28N2O2/c1-4-7-10-18-13-16(20)15(19)11-14(18)12-17(8-5-2)9-6-3/h11,13,20H,4-10,12H2,1-3H3
InChIKeyONPKVQQCDXGBRQ-UHFFFAOYSA-N
XLogP2.98
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
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
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82218616
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
4-[2-[[bis(prop-2-enyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]butanoic acid
CID 94960541
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327
1-ethyl-2-(fluoromethyl)-5-hydroxypyridin-4-one
CID 69095911

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one (CID 82218171) is 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one is CCCCn1cc(O)c(=O)cc1CN(CCC)CCC.
What is the InChIKey of 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
The InChIKey is ONPKVQQCDXGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-7-10-18-13-16(20)15(19)11-14(18)12-17(8-5-2)9-6-3/h11,13,20H,4-10,12H2,1-3H3.
What are the key properties of 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one?
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one has a molecular weight of 280.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).