2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide

C15H21BrN2O2 — CID 103868583

IUPAC2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cccnc2Br)CCO1
InChIInChI=1S/C15H21BrN2O2/c1-3-15(4-2)10-11(7-9-20-15)18-14(19)12-6-5-8-17-13(12)16/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeyQMMPKYWEODIJSB-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.31
Rot. Bonds4

About 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide

2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide (PubChem CID 103868583) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
PubChem CID103868583
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2cccnc2Br)CCO1
InChIInChI=1S/C15H21BrN2O2/c1-3-15(4-2)10-11(7-9-20-15)18-14(19)12-6-5-8-17-13(12)16/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,19)
InChIKeyQMMPKYWEODIJSB-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.31
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

4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103868621
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
4-[(2,2-diethyloxan-4-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 83035205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide (CID 103868583) is 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide is CCC1(CC)CC(NC(=O)c2cccnc2Br)CCO1.
What is the InChIKey of 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is QMMPKYWEODIJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-15(4-2)10-11(7-9-20-15)18-14(19)12-6-5-8-17-13(12)16/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide?
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103868583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).