(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide

C14H18BrN3O2 — CID 155168075

IUPAC(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide
SMILESO=C(/C=C/CN1CCOCC1)NCc1ccc(Br)cn1
InChIInChI=1S/C14H18BrN3O2/c15-12-3-4-13(16-10-12)11-17-14(19)2-1-5-18-6-8-20-9-7-18/h1-4,10H,5-9,11H2,(H,17,19)/b2-1+
InChIKeyHQIXSXIVIZEIDN-OWOJBTEDSA-N
MW340.22 g/mol
LogP1.35
Rot. Bonds5

About (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide

(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide (PubChem CID 155168075) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide
PubChem CID155168075
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide
SMILESO=C(/C=C/CN1CCOCC1)NCc1ccc(Br)cn1
InChIInChI=1S/C14H18BrN3O2/c15-12-3-4-13(16-10-12)11-17-14(19)2-1-5-18-6-8-20-9-7-18/h1-4,10H,5-9,11H2,(H,17,19)/b2-1+
InChIKeyHQIXSXIVIZEIDN-OWOJBTEDSA-N
XLogP1.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide (CID 155168075) is (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide is O=C(/C=C/CN1CCOCC1)NCc1ccc(Br)cn1.
What is the InChIKey of (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide?
The InChIKey is HQIXSXIVIZEIDN-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-12-3-4-13(16-10-12)11-17-14(19)2-1-5-18-6-8-20-9-7-18/h1-4,10H,5-9,11H2,(H,17,19)/b2-1+.
What are the key properties of (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide?
(E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide has a molecular weight of 340.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-bromo-2-pyridinyl)methyl]-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 155168075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).