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

C14H13Br2N3O2 — CID 82860306

IUPAC5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H13Br2N3O2/c1-17-13-12(5-9(16)7-18-13)14(20)19-10-3-8(15)4-11(6-10)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUYDKUXCKYAZKNC-UHFFFAOYSA-N
MW415.09 g/mol
LogP3.91
Rot. Bonds4

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

5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 82860306) has the molecular formula C14H13Br2N3O2 and a molecular weight of 415.09 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID82860306
Molecular FormulaC14H13Br2N3O2
Molecular Weight415.09 g/mol
Exact Mass412.94
IUPAC Name5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C14H13Br2N3O2/c1-17-13-12(5-9(16)7-18-13)14(20)19-10-3-8(15)4-11(6-10)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyUYDKUXCKYAZKNC-UHFFFAOYSA-N
XLogP3.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.09
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide (CID 82860306) is 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is UYDKUXCKYAZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O2/c1-17-13-12(5-9(16)7-18-13)14(20)19-10-3-8(15)4-11(6-10)21-2/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 415.09 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82860306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).