N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide

C11H13BrN2O2 — CID 102676297

IUPACN-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(Br)nc2)CO1
InChIInChI=1S/C11H13BrN2O2/c1-7-4-8(6-16-7)11(15)14-9-2-3-10(12)13-5-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyIUSMRYDKDQVSGC-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.21
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide

N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide (PubChem CID 102676297) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
PubChem CID102676297
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(Br)nc2)CO1
InChIInChI=1S/C11H13BrN2O2/c1-7-4-8(6-16-7)11(15)14-9-2-3-10(12)13-5-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15)
InChIKeyIUSMRYDKDQVSGC-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-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114825721
N-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106832051
N-(5-amino-3-bromo-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114824269
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824292
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
3-bromo-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824546
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
5-methyl-N-[4-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 114824615
N-[3-(bromomethyl)phenyl]-5-methyloxolane-3-carboxamide
CID 114823258

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide (CID 102676297) is N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2ccc(Br)nc2)CO1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide?
The InChIKey is IUSMRYDKDQVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-4-8(6-16-7)11(15)14-9-2-3-10(12)13-5-9/h2-3,5,7-8H,4,6H2,1H3,(H,14,15).
What are the key properties of N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide?
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-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-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 102676297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).