1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one

C11H16N2O2 — CID 103446715

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H16N2O2/c1-4-11(3,15)9(14)8-7(2)5-6-13-10(8)12/h5-6,15H,4H2,1-3H3,(H2,12,13)
InChIKeyZTCLRECWLXGNMH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one

1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one (PubChem CID 103446715) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
PubChem CID103446715
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
SMILESCCC(C)(O)C(=O)c1c(C)ccnc1N
InChIInChI=1S/C11H16N2O2/c1-4-11(3,15)9(14)8-7(2)5-6-13-10(8)12/h5-6,15H,4H2,1-3H3,(H2,12,13)
InChIKeyZTCLRECWLXGNMH-UHFFFAOYSA-N
XLogP1.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one (CID 103446715) is 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one is CCC(C)(O)C(=O)c1c(C)ccnc1N.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one?
The InChIKey is ZTCLRECWLXGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-11(3,15)9(14)8-7(2)5-6-13-10(8)12/h5-6,15H,4H2,1-3H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one?
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one is sourced from PubChem (CID 103446715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).