2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide

C15H15BrN2O2 — CID 103754685

IUPAC2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O2/c1-3-20-13-9-10(2)6-7-12(13)18-15(19)11-5-4-8-17-14(11)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyUHRVWQFDLZYBJE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.80
Rot. Bonds4

About 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide

2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 103754685) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
PubChem CID103754685
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C15H15BrN2O2/c1-3-20-13-9-10(2)6-7-12(13)18-15(19)11-5-4-8-17-14(11)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyUHRVWQFDLZYBJE-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide (CID 103754685) is 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide is CCOc1cc(C)ccc1NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is UHRVWQFDLZYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-3-20-13-9-10(2)6-7-12(13)18-15(19)11-5-4-8-17-14(11)16/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.80, 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-ethoxy-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).