3-amino-5-tert-butyl-1-methylpyridin-2-one

C10H16N2O — CID 58980646

IUPAC3-amino-5-tert-butyl-1-methylpyridin-2-one
SMILESCn1cc(C(C)(C)C)cc(N)c1=O
InChIInChI=1S/C10H16N2O/c1-10(2,3)7-5-8(11)9(13)12(4)6-7/h5-6H,11H2,1-4H3
InChIKeyIXGGMIRNAHOBOY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.26
Rot. Bonds

About 3-amino-5-tert-butyl-1-methylpyridin-2-one

3-amino-5-tert-butyl-1-methylpyridin-2-one (PubChem CID 58980646) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-tert-butyl-1-methylpyridin-2-one
PubChem CID58980646
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-amino-5-tert-butyl-1-methylpyridin-2-one
SMILESCn1cc(C(C)(C)C)cc(N)c1=O
InChIInChI=1S/C10H16N2O/c1-10(2,3)7-5-8(11)9(13)12(4)6-7/h5-6H,11H2,1-4H3
InChIKeyIXGGMIRNAHOBOY-UHFFFAOYSA-N
XLogP1.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-tert-butyl-1-methylpyridin-2-one (CID 58980646) is 3-amino-5-tert-butyl-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-tert-butyl-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-tert-butyl-1-methylpyridin-2-one is Cn1cc(C(C)(C)C)cc(N)c1=O.
What is the InChIKey of 3-amino-5-tert-butyl-1-methylpyridin-2-one?
The InChIKey is IXGGMIRNAHOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)7-5-8(11)9(13)12(4)6-7/h5-6H,11H2,1-4H3.
What are the key properties of 3-amino-5-tert-butyl-1-methylpyridin-2-one?
3-amino-5-tert-butyl-1-methylpyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butyl-1-methylpyridin-2-one is sourced from PubChem (CID 58980646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).