3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one

C15H14BrN3O2 — CID 23049030

IUPAC3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(Br)cc(N)c2=O)c2cnccc2O1
InChIInChI=1S/C15H14BrN3O2/c1-15(2)6-12(10-7-18-4-3-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,17H2,1-2H3
InChIKeyZUVPXZPSJOYRER-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.65
Rot. Bonds1

About 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one

3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one (PubChem CID 23049030) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
PubChem CID23049030
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(Br)cc(N)c2=O)c2cnccc2O1
InChIInChI=1S/C15H14BrN3O2/c1-15(2)6-12(10-7-18-4-3-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,17H2,1-2H3
InChIKeyZUVPXZPSJOYRER-UHFFFAOYSA-N
XLogP2.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one (CID 23049030) is 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one is CC1(C)C=C(n2cc(Br)cc(N)c2=O)c2cnccc2O1.
What is the InChIKey of 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The InChIKey is ZUVPXZPSJOYRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-15(2)6-12(10-7-18-4-3-13(10)21-15)19-8-9(16)5-11(17)14(19)20/h3-8H,17H2,1-2H3.
What are the key properties of 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 23049030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).