3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H15N3O2 — CID 64851259

IUPAC3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1cc(N2C(=O)C3C(C2=O)C3(C)C)ncc1N
InChIInChI=1S/C13H15N3O2/c1-6-4-8(15-5-7(6)14)16-11(17)9-10(12(16)18)13(9,2)3/h4-5,9-10H,14H2,1-3H3
InChIKeySQXPHYPBYCUISV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.12
Rot. Bonds1

About 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64851259) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64851259
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1cc(N2C(=O)C3C(C2=O)C3(C)C)ncc1N
InChIInChI=1S/C13H15N3O2/c1-6-4-8(15-5-7(6)14)16-11(17)9-10(12(16)18)13(9,2)3/h4-5,9-10H,14H2,1-3H3
InChIKeySQXPHYPBYCUISV-UHFFFAOYSA-N
XLogP1.12
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64851259) is 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1cc(N2C(=O)C3C(C2=O)C3(C)C)ncc1N.
What is the InChIKey of 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is SQXPHYPBYCUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-6-4-8(15-5-7(6)14)16-11(17)9-10(12(16)18)13(9,2)3/h4-5,9-10H,14H2,1-3H3.
What are the key properties of 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-methyl-2-pyridinyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64851259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).