N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide

C11H14BrN3O2 — CID 1237386

IUPACN-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c12-9-1-2-10(13-7-9)14-11(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H,13,14,16)
InChIKeyBEJFAQSHULSAQK-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.11
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide

N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide (PubChem CID 1237386) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide
PubChem CID1237386
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c12-9-1-2-10(13-7-9)14-11(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H,13,14,16)
InChIKeyBEJFAQSHULSAQK-UHFFFAOYSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.11
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-morpholin-4-ylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide (CID 1237386) is N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
The InChIKey is BEJFAQSHULSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-1-2-10(13-7-9)14-11(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H,13,14,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide?
N-(5-bromo-2-pyridinyl)-2-morpholin-4-ylacetamide has a molecular weight of 300.16 g/mol, XLogP of 1.11, 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-morpholin-4-ylacetamide is sourced from PubChem (CID 1237386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).