3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one

C11H18N2O2 — CID 165472125

IUPAC3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one
SMILESCOCC(C)(C)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-11(2,8-15-3)7-13-5-4-10(14)9(12)6-13/h4-6H,7-8,12H2,1-3H3
InChIKeyCGYUISLWKXODOS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds4

About 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one

3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one (PubChem CID 165472125) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one
PubChem CID165472125
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one
SMILESCOCC(C)(C)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H18N2O2/c1-11(2,8-15-3)7-13-5-4-10(14)9(12)6-13/h4-6H,7-8,12H2,1-3H3
InChIKeyCGYUISLWKXODOS-UHFFFAOYSA-N
XLogP1.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one (CID 165472125) is 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one is COCC(C)(C)Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one?
The InChIKey is CGYUISLWKXODOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,8-15-3)7-13-5-4-10(14)9(12)6-13/h4-6H,7-8,12H2,1-3H3.
What are the key properties of 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one?
3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxy-2,2-dimethylpropyl)pyridin-4-one is sourced from PubChem (CID 165472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).