bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one

C61H99N7O12 — CID 158969121

IUPACbis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO.NCCO.O=c1ccccn1O
InChIInChI=1S/2C14H23NO2.2C12H17NO2.C5H5NO2.2C2H7NO/c2*1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;2*1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;7-5-3-1-2-4-6(5)8;2*3-1-2-4/h2*6,8,11,17H,7,9H2,1-5H3;2*7-8,10,15H,2-6H2,1H3;1-4,8H;2*4H,1-3H2
InChIKeyJNORFDDWZAMNCC-UHFFFAOYSA-N
MW1122.50 g/mol
LogP8.86
Rot. Bonds10

About bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one

bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one (PubChem CID 158969121) has the molecular formula C61H99N7O12 and a molecular weight of 1122.50 g/mol. Its IUPAC name is bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one.

Molecular Properties

Compound Namebis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one
PubChem CID158969121
Molecular FormulaC61H99N7O12
Molecular Weight1122.50 g/mol
Exact Mass1121.74
IUPAC Namebis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one
SMILESCc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO.NCCO.O=c1ccccn1O
InChIInChI=1S/2C14H23NO2.2C12H17NO2.C5H5NO2.2C2H7NO/c2*1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;2*1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;7-5-3-1-2-4-6(5)8;2*3-1-2-4/h2*6,8,11,17H,7,9H2,1-5H3;2*7-8,10,15H,2-6H2,1H3;1-4,8H;2*4H,1-3H2
InChIKeyJNORFDDWZAMNCC-UHFFFAOYSA-N
XLogP8.86
TPSA303.65 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001122.50
LogP ≤ 58.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one?
The IUPAC name of bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one (CID 158969121) is bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one.
What is the SMILES notation for bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one?
The canonical SMILES for bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one is Cc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(C2CCCCC2)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.Cc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1.NCCO.NCCO.O=c1ccccn1O.
What is the InChIKey of bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one?
The InChIKey is JNORFDDWZAMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23NO2.2C12H17NO2.C5H5NO2.2C2H7NO/c2*1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;2*1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;7-5-3-1-2-4-6(5)8;2*3-1-2-4/h2*6,8,11,17H,7,9H2,1-5H3;2*7-8,10,15H,2-6H2,1H3;1-4,8H;2*4H,1-3H2.
What are the key properties of bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one?
bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one has a molecular weight of 1122.50 g/mol, XLogP of 8.86, 10 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethanol);bis(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one);bis(1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one);1-hydroxypyridin-2-one is sourced from PubChem (CID 158969121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).