1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

C17H30N2O2 — CID 82217308

IUPAC1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-9-10-18(8-2)12-14-16(21)15(20)11-13(3)19(14)17(4,5)6/h11,21H,7-10,12H2,1-6H3
InChIKeyPPCXWDZMXXEQHT-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.24
Rot. Bonds6

About 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one

1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217308) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217308
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-9-10-18(8-2)12-14-16(21)15(20)11-13(3)19(14)17(4,5)6/h11,21H,7-10,12H2,1-6H3
InChIKeyPPCXWDZMXXEQHT-UHFFFAOYSA-N
XLogP3.24
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
CID 82217761
1-[3-(diethylamino)propyl]-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217692
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-[[bis(2-methoxyethyl)amino]methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
CID 94958622
1-cyclopentyl-2-[(dipropylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 94958996
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
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-ethyl-1,3-dihydroxy-6-methylpyridin-4-one
CID 59223433
1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)pyridin-4-one
CID 82217127

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one (CID 82217308) is 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is CCCCN(CC)Cc1c(O)c(=O)cc(C)n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is PPCXWDZMXXEQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-9-10-18(8-2)12-14-16(21)15(20)11-13(3)19(14)17(4,5)6/h11,21H,7-10,12H2,1-6H3.
What are the key properties of 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one?
1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 294.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).