4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide

C13H12BrN3O2 — CID 104507271

IUPAC4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1c(N)cnc(Oc2ccc(C(N)=O)cc2)c1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-10(15)6-17-13(11(7)14)19-9-4-2-8(3-5-9)12(16)18/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyVEUHOZWVTCDTQC-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.63
Rot. Bonds3

About 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide

4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide (PubChem CID 104507271) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
PubChem CID104507271
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1c(N)cnc(Oc2ccc(C(N)=O)cc2)c1Br
InChIInChI=1S/C13H12BrN3O2/c1-7-10(15)6-17-13(11(7)14)19-9-4-2-8(3-5-9)12(16)18/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyVEUHOZWVTCDTQC-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

5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
CID 104507278
4-[(3-amino-2-pyridinyl)oxy]benzamide
CID 15942962
4-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 55229282
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[(3-amino-5-bromo-4-pyridinyl)oxy]benzamide
CID 103518713
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide?
The IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide (CID 104507271) is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide is Cc1c(N)cnc(Oc2ccc(C(N)=O)cc2)c1Br.
What is the InChIKey of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide?
The InChIKey is VEUHOZWVTCDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7-10(15)6-17-13(11(7)14)19-9-4-2-8(3-5-9)12(16)18/h2-6H,15H2,1H3,(H2,16,18).
What are the key properties of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide?
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide 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 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 104507271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).