5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide

C13H12BrN3O3 — CID 114409213

IUPAC5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2nc(C(N)=O)ccc2N)c(Br)c1
InChIInChI=1S/C13H12BrN3O3/c1-19-7-2-5-11(8(14)6-7)20-13-9(15)3-4-10(17-13)12(16)18/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyHKYSHVTYQVVEFD-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.33
Rot. Bonds4

About 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide

5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide (PubChem CID 114409213) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
PubChem CID114409213
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide
SMILESCOc1ccc(Oc2nc(C(N)=O)ccc2N)c(Br)c1
InChIInChI=1S/C13H12BrN3O3/c1-19-7-2-5-11(8(14)6-7)20-13-9(15)3-4-10(17-13)12(16)18/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyHKYSHVTYQVVEFD-UHFFFAOYSA-N
XLogP2.33
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2,6-dimethoxyphenoxy)pyridine-2-carboxamide
CID 114408396
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569
5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
CID 102702984
methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
2-amino-5-methoxybenzamide;ethane
CID 142071126
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide (CID 114409213) is 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide is COc1ccc(Oc2nc(C(N)=O)ccc2N)c(Br)c1.
What is the InChIKey of 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide?
The InChIKey is HKYSHVTYQVVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-19-7-2-5-11(8(14)6-7)20-13-9(15)3-4-10(17-13)12(16)18/h2-6H,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide?
5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide has a molecular weight of 338.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-bromo-4-methoxyphenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 114409213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).