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

C15H14BrN3O2 — CID 23049080

IUPAC5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(N)cc(Br)c2=O)c2cnccc2O1
InChIInChI=1S/C15H14BrN3O2/c1-15(2)6-12(10-7-18-4-3-13(10)21-15)19-8-9(17)5-11(16)14(19)20/h3-8H,17H2,1-2H3
InChIKeyKJGWAXVGGBJSKG-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.65
Rot. Bonds1

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

5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one (PubChem CID 23049080) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
PubChem CID23049080
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2cc(N)cc(Br)c2=O)c2cnccc2O1
InChIInChI=1S/C15H14BrN3O2/c1-15(2)6-12(10-7-18-4-3-13(10)21-15)19-8-9(17)5-11(16)14(19)20/h3-8H,17H2,1-2H3
InChIKeyKJGWAXVGGBJSKG-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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Related Compounds

3-amino-5-bromo-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
CID 23049079
N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 23049095
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-3-methoxypyridin-2-one
CID 23049056
3,5-dichloro-1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)pyridin-2-one
CID 23049017
1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one;propanedioic acid
CID 19787857
N-[5-bromo-1-(2,2-dimethyl-6-nitrochromen-4-yl)-6-oxo-3-pyridinyl]acetamide
CID 22122949
1-(2,2-dimethylpyrano[2,3-c]pyridin-4-yl)-2-oxopyridine-3-carboxylic acid
CID 23049163
1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyrazin-2-one
CID 154262697
N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 23049029
N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 22122714
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one (CID 23049080) is 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one is CC1(C)C=C(n2cc(N)cc(Br)c2=O)c2cnccc2O1.
What is the InChIKey of 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
The InChIKey is KJGWAXVGGBJSKG-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(17)5-11(16)14(19)20/h3-8H,17H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one?
5-amino-3-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 5-amino-3-bromo-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)pyridin-2-one is sourced from PubChem (CID 23049080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).