N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide

C13H12BrN3O2 — CID 107729224

IUPACN-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(Br)ccc1O)c1ccncc1N
InChIInChI=1S/C13H12BrN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)9-6-8(14)2-3-12(9)18/h2-7,18H,15H2,1H3
InChIKeyXVTSYVFTZDEYKD-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.41
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide

N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide (PubChem CID 107729224) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
PubChem CID107729224
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(Br)ccc1O)c1ccncc1N
InChIInChI=1S/C13H12BrN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)9-6-8(14)2-3-12(9)18/h2-7,18H,15H2,1H3
InChIKeyXVTSYVFTZDEYKD-UHFFFAOYSA-N
XLogP2.41
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide (CID 107729224) is N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(Br)ccc1O)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The InChIKey is XVTSYVFTZDEYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)9-6-8(14)2-3-12(9)18/h2-7,18H,15H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide has a molecular weight of 322.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).