6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide

C14H13BrN2O2 — CID 103874040

IUPAC6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-11-8-6-10(7-9-11)16-14(18)12-4-3-5-13(15)17-12/h3-9H,2H2,1H3,(H,16,18)
InChIKeyNDNJOYWOADKKGO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.50
Rot. Bonds4

About 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide

6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 103874040) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID103874040
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(Br)n2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-11-8-6-10(7-9-11)16-14(18)12-4-3-5-13(15)17-12/h3-9H,2H2,1H3,(H,16,18)
InChIKeyNDNJOYWOADKKGO-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(4-ethoxyphenyl)pyridine-2-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

6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
N-(4-ethoxyphenyl)-1,8-naphthyridine-2-carboxamide
CID 177046964
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 103874040) is 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cccc(Br)n2)cc1.
What is the InChIKey of 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is NDNJOYWOADKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-19-11-8-6-10(7-9-11)16-14(18)12-4-3-5-13(15)17-12/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).