N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide

C10H12BrN3O2 — CID 103813891

IUPACN-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1COCCN1
InChIInChI=1S/C10H12BrN3O2/c11-9-2-1-7(5-13-9)14-10(15)8-6-16-4-3-12-8/h1-2,5,8,12H,3-4,6H2,(H,14,15)
InChIKeyNBWODBBEWTXAMH-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.77
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide

N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide (PubChem CID 103813891) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
PubChem CID103813891
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC NameN-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1COCCN1
InChIInChI=1S/C10H12BrN3O2/c11-9-2-1-7(5-13-9)14-10(15)8-6-16-4-3-12-8/h1-2,5,8,12H,3-4,6H2,(H,14,15)
InChIKeyNBWODBBEWTXAMH-UHFFFAOYSA-N
XLogP0.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide (CID 103813891) is N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide is O=C(Nc1ccc(Br)nc1)C1COCCN1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide?
The InChIKey is NBWODBBEWTXAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-9-2-1-7(5-13-9)14-10(15)8-6-16-4-3-12-8/h1-2,5,8,12H,3-4,6H2,(H,14,15).
What are the key properties of N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide?
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide has a molecular weight of 286.13 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide is sourced from PubChem (CID 103813891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).