2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide

C13H12BrN3O2 — CID 114195729

IUPAC2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide
SMILESCc1ccc(Br)cc1Oc1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-10(7)19-11-6-17-12(15)5-9(11)13(16)18/h2-6H,1H3,(H2,15,17)(H2,16,18)
InChIKeyDFIRVHBIFYTFJL-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide

2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide (PubChem CID 114195729) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide
PubChem CID114195729
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide
SMILESCc1ccc(Br)cc1Oc1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-10(7)19-11-6-17-12(15)5-9(11)13(16)18/h2-6H,1H3,(H2,15,17)(H2,16,18)
InChIKeyDFIRVHBIFYTFJL-UHFFFAOYSA-N
XLogP2.63
TPSA91.23 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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methylphenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213953
methyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285352
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
2-(5-bromo-2-methylphenoxy)-1,3-thiazol-5-amine
CID 107283345
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
2-amino-5-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboxamide
CID 114195688
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
O-(5-bromo-2-methylphenyl) carbamothioate
CID 154518622
5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
2-amino-5-(2-ethylphenoxy)pyridine-4-carboxylic acid
CID 114195655
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide (CID 114195729) is 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide is Cc1ccc(Br)cc1Oc1cnc(N)cc1C(N)=O.
What is the InChIKey of 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide?
The InChIKey is DFIRVHBIFYTFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-2-3-8(14)4-10(7)19-11-6-17-12(15)5-9(11)13(16)18/h2-6H,1H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide?
2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-bromo-2-methylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 114195729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).