N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C13H18BrN3O2 — CID 6467618

IUPACN-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(Br)cn2)CC(C)O1
InChIInChI=1S/C13H18BrN3O2/c1-9-6-17(7-10(2)19-9)8-13(18)16-12-4-3-11(14)5-15-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,16,18)
InChIKeyXLCOSLPWOQEMOF-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.89
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 6467618) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID6467618
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(Br)cn2)CC(C)O1
InChIInChI=1S/C13H18BrN3O2/c1-9-6-17(7-10(2)19-9)8-13(18)16-12-4-3-11(14)5-15-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,16,18)
InChIKeyXLCOSLPWOQEMOF-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 6467618) is N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccc(Br)cn2)CC(C)O1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is XLCOSLPWOQEMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9-6-17(7-10(2)19-9)8-13(18)16-12-4-3-11(14)5-15-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 6467618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).