N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide

C11H13Br2N3O2 — CID 661163

IUPACN-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H13Br2N3O2/c12-8-5-9(13)11(14-6-8)15-10(17)7-16-1-3-18-4-2-16/h5-6H,1-4,7H2,(H,14,15,17)
InChIKeyATQYNKNDUBAYIX-UHFFFAOYSA-N
MW379.05 g/mol
LogP1.88
Rot. Bonds3

About N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide

N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide (PubChem CID 661163) has the molecular formula C11H13Br2N3O2 and a molecular weight of 379.05 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
PubChem CID661163
Molecular FormulaC11H13Br2N3O2
Molecular Weight379.05 g/mol
Exact Mass376.94
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C11H13Br2N3O2/c12-8-5-9(13)11(14-6-8)15-10(17)7-16-1-3-18-4-2-16/h5-6H,1-4,7H2,(H,14,15,17)
InChIKeyATQYNKNDUBAYIX-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
N-(5-bromo-3-methyl-2-pyridinyl)-2-(1,4-diazepan-1-yl)acetamide
CID 83167352
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(5-amino-3-bromo-2-pyridinyl)morpholine-4-carboxamide
CID 79156017
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873860
N-(4-ethoxy-1,2,5-oxadiazol-3-yl)-2-morpholin-4-ylacetamide
CID 5311552
N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2960367
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide (CID 661163) is N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ncc(Br)cc1Br.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
The InChIKey is ATQYNKNDUBAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2/c12-8-5-9(13)11(14-6-8)15-10(17)7-16-1-3-18-4-2-16/h5-6H,1-4,7H2,(H,14,15,17).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide has a molecular weight of 379.05 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 661163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).