N-(2-bromo-3-pyridinyl)oxane-4-carboxamide

C11H13BrN2O2 — CID 103819148

IUPACN-(2-bromo-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1cccnc1Br)C1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-10-9(2-1-5-13-10)14-11(15)8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyXUFQZSQJDMMBNC-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)oxane-4-carboxamide

N-(2-bromo-3-pyridinyl)oxane-4-carboxamide (PubChem CID 103819148) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)oxane-4-carboxamide
PubChem CID103819148
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-bromo-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1cccnc1Br)C1CCOCC1
InChIInChI=1S/C11H13BrN2O2/c12-10-9(2-1-5-13-10)14-11(15)8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyXUFQZSQJDMMBNC-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841304
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 102979329
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)oxane-4-carboxamide (CID 103819148) is N-(2-bromo-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)oxane-4-carboxamide is O=C(Nc1cccnc1Br)C1CCOCC1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is XUFQZSQJDMMBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-9(2-1-5-13-10)14-11(15)8-3-6-16-7-4-8/h1-2,5,8H,3-4,6-7H2,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)oxane-4-carboxamide?
N-(2-bromo-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 2.21, 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-4-carboxamide is sourced from PubChem (CID 103819148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).