N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide

C17H16BrN3O3 — CID 23049029

IUPACN-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ncccc32)c1=O
InChIInChI=1S/C17H16BrN3O3/c1-10(22)20-13-7-11(18)9-21(16(13)23)14-8-17(2,3)24-15-12(14)5-4-6-19-15/h4-9H,1-3H3,(H,20,22)
InChIKeyNUUASLXNFJOGCH-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.02
Rot. Bonds2

About N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide

N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 23049029) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
PubChem CID23049029
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ncccc32)c1=O
InChIInChI=1S/C17H16BrN3O3/c1-10(22)20-13-7-11(18)9-21(16(13)23)14-8-17(2,3)24-15-12(14)5-4-6-19-15/h4-9H,1-3H3,(H,20,22)
InChIKeyNUUASLXNFJOGCH-UHFFFAOYSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide (CID 23049029) is N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ncccc32)c1=O.
What is the InChIKey of N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The InChIKey is NUUASLXNFJOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-10(22)20-13-7-11(18)9-21(16(13)23)14-8-17(2,3)24-15-12(14)5-4-6-19-15/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 390.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(2,2-dimethylpyrano[2,3-b]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 23049029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).