6-amino-3-tert-butyl-1H-pyridin-2-one

C9H14N2O — CID 170003717

IUPAC6-amino-3-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(N)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)6-4-5-7(10)11-8(6)12/h4-5H,1-3H3,(H3,10,11,12)
InChIKeyTUDWNYKMXPKXGJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.25
Rot. Bonds

About 6-amino-3-tert-butyl-1H-pyridin-2-one

6-amino-3-tert-butyl-1H-pyridin-2-one (PubChem CID 170003717) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-amino-3-tert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-tert-butyl-1H-pyridin-2-one
PubChem CID170003717
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-amino-3-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(N)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-9(2,3)6-4-5-7(10)11-8(6)12/h4-5H,1-3H3,(H3,10,11,12)
InChIKeyTUDWNYKMXPKXGJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-tert-butyl-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-tert-butyl-1H-pyridin-2-one (CID 170003717) is 6-amino-3-tert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-tert-butyl-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-tert-butyl-1H-pyridin-2-one is CC(C)(C)c1ccc(N)[nH]c1=O.
What is the InChIKey of 6-amino-3-tert-butyl-1H-pyridin-2-one?
The InChIKey is TUDWNYKMXPKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)6-4-5-7(10)11-8(6)12/h4-5H,1-3H3,(H3,10,11,12).
What are the key properties of 6-amino-3-tert-butyl-1H-pyridin-2-one?
6-amino-3-tert-butyl-1H-pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-tert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 170003717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).