6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

C14H13BrN2O3 — CID 103874074

IUPAC6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(Br)n2)cc(OC)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-6-9(7-11(8-10)20-2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18)
InChIKeyYMNORAZRKCUWER-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.11
Rot. Bonds4

About 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide

6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 103874074) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID103874074
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(Br)n2)cc(OC)c1
InChIInChI=1S/C14H13BrN2O3/c1-19-10-6-9(7-11(8-10)20-2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18)
InChIKeyYMNORAZRKCUWER-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.11
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

N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 52714960

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 103874074) is 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(Br)n2)cc(OC)c1.
What is the InChIKey of 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YMNORAZRKCUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-19-10-6-9(7-11(8-10)20-2)16-14(18)12-4-3-5-13(15)17-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide?
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).