5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide

C13H12BrN3O2 — CID 82858178

IUPAC5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-5-8(14)4-10(6-11)17-13(18)12-3-2-9(15)7-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHTDKFGXTUQPOQB-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

About 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide

5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 82858178) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
PubChem CID82858178
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-5-8(14)4-10(6-11)17-13(18)12-3-2-9(15)7-16-12/h2-7H,15H2,1H3,(H,17,18)
InChIKeyHTDKFGXTUQPOQB-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
CID 82859029
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide (CID 82858178) is 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide is COc1cc(Br)cc(NC(=O)c2ccc(N)cn2)c1.
What is the InChIKey of 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is HTDKFGXTUQPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-11-5-8(14)4-10(6-11)17-13(18)12-3-2-9(15)7-16-12/h2-7H,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide?
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 82858178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).