N-(2-bromo-3-pyridinyl)oxane-2-carboxamide

C11H13BrN2O2 — CID 103822374

IUPACN-(2-bromo-3-pyridinyl)oxane-2-carboxamide
SMILESO=C(Nc1cccnc1Br)C1CCCCO1
InChIInChI=1S/C11H13BrN2O2/c12-10-8(4-3-6-13-10)14-11(15)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyVNULWSYOYRYUFH-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.35
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)oxane-2-carboxamide

N-(2-bromo-3-pyridinyl)oxane-2-carboxamide (PubChem CID 103822374) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)oxane-2-carboxamide
PubChem CID103822374
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-bromo-3-pyridinyl)oxane-2-carboxamide
SMILESO=C(Nc1cccnc1Br)C1CCCCO1
InChIInChI=1S/C11H13BrN2O2/c12-10-8(4-3-6-13-10)14-11(15)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyVNULWSYOYRYUFH-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-yloxane-2-carboxamide
CID 110863491
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
N-(2-bromo-3-pyridinyl)oxane-4-carboxamide
CID 103819148
(2R)-N-(5-bromoquinolin-8-yl)oxolane-2-carboxamide
CID 35287150
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide
CID 154789089

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)oxane-2-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)oxane-2-carboxamide (CID 103822374) is N-(2-bromo-3-pyridinyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)oxane-2-carboxamide is O=C(Nc1cccnc1Br)C1CCCCO1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)oxane-2-carboxamide?
The InChIKey is VNULWSYOYRYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-8(4-3-6-13-10)14-11(15)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)oxane-2-carboxamide?
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)oxane-2-carboxamide is sourced from PubChem (CID 103822374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).