6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide

C15H15BrN2O3 — CID 103889781

IUPAC6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(Br)n2)ccc1OC
InChIInChI=1S/C15H15BrN2O3/c1-3-21-13-9-10(7-8-12(13)20-2)17-15(19)11-5-4-6-14(16)18-11/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyITJDLJCYSKQLPL-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.50
Rot. Bonds5

About 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide

6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 103889781) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID103889781
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(Br)n2)ccc1OC
InChIInChI=1S/C15H15BrN2O3/c1-3-21-13-9-10(7-8-12(13)20-2)17-15(19)11-5-4-6-14(16)18-11/h4-9H,3H2,1-2H3,(H,17,19)
InChIKeyITJDLJCYSKQLPL-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide (CID 103889781) is 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide is CCOc1cc(NC(=O)c2cccc(Br)n2)ccc1OC.
What is the InChIKey of 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ITJDLJCYSKQLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-21-13-9-10(7-8-12(13)20-2)17-15(19)11-5-4-6-14(16)18-11/h4-9H,3H2,1-2H3,(H,17,19).
What are the key properties of 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide?
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).