2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one

C19H32N2O2 — CID 94960137

IUPAC2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1C1CCCCCC1
InChIInChI=1S/C19H32N2O2/c1-3-5-12-20(4-2)14-17-13-18(22)19(23)15-21(17)16-10-8-6-7-9-11-16/h13,15-16,23H,3-12,14H2,1-2H3
InChIKeyAMTRJYQXVNTKGC-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.07
Rot. Bonds7

About 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one

2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one (PubChem CID 94960137) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
PubChem CID94960137
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1C1CCCCCC1
InChIInChI=1S/C19H32N2O2/c1-3-5-12-20(4-2)14-17-13-18(22)19(23)15-21(17)16-10-8-6-7-9-11-16/h13,15-16,23H,3-12,14H2,1-2H3
InChIKeyAMTRJYQXVNTKGC-UHFFFAOYSA-N
XLogP4.07
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881391
2-Hexadecyl-5-hydroxy-1-methylpyridin-4-one
CID 172213125
2,6-bis(azepan-1-ylmethyl)-3-hydroxy-1-methylpyridin-4(1H)-one
CID 71706988
2-(Azepan-1-ylmethyl)-5-hydroxy-1-methylpyridin-4-one
CID 82017841
1-Cycloheptyl-3-hydroxy-2-methylpyridin-4-one
CID 82212044
1-Cycloheptyl-2-ethyl-3-hydroxypyridin-4-one
CID 82212045
2-(Azepan-1-ylmethyl)-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217115
1-Butan-2-yl-2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217120
1-Butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217123
1-Butan-2-yl-2-[[butyl(methyl)amino]methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217138
2-(Azepan-1-ylmethyl)-3-hydroxy-6-methyl-1-propylpyridin-4-one
CID 82217259
2-[(2-Ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
CID 82217264

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one (CID 94960137) is 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one is CCCCN(CC)Cc1cc(=O)c(O)cn1C1CCCCCC1.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one?
The InChIKey is AMTRJYQXVNTKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-5-12-20(4-2)14-17-13-18(22)19(23)15-21(17)16-10-8-6-7-9-11-16/h13,15-16,23H,3-12,14H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one has a molecular weight of 320.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one is sourced from PubChem (CID 94960137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).