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

C11H13BrN2O2 — CID 103819174

IUPACN-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-4-6-16-9(7)11(15)14-8-3-2-5-13-10(8)12/h2-3,5,7,9H,4,6H2,1H3,(H,14,15)
InChIKeyQFVSJRHSZHMCAI-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

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

N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 103819174) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID103819174
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cccnc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-4-6-16-9(7)11(15)14-8-3-2-5-13-10(8)12/h2-3,5,7,9H,4,6H2,1H3,(H,14,15)
InChIKeyQFVSJRHSZHMCAI-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)-2-methylcyclopropane-1-carboxamide
CID 103819502
N-(2-bromo-3-pyridinyl)oxane-4-carboxamide
CID 103819148
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841304
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 97348864
(2S,3R)-3-methyl-N-(5-phenylpyrimidin-2-yl)oxolane-2-carboxamide
CID 119050857
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide (CID 103819174) is N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is QFVSJRHSZHMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-4-6-16-9(7)11(15)14-8-3-2-5-13-10(8)12/h2-3,5,7,9H,4,6H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide?
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-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)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103819174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).