2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide

C13H12BrN3O2 — CID 81410023

IUPAC2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O2/c1-19-10-4-2-3-9(15)12(10)13(18)17-11-6-5-8(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyDDRVLBSVAJZVFJ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide

2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide (PubChem CID 81410023) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
PubChem CID81410023
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H12BrN3O2/c1-19-10-4-2-3-9(15)12(10)13(18)17-11-6-5-8(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyDDRVLBSVAJZVFJ-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
CID 28893236
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
2-amino-N-(5-bromo-2-cyanophenyl)-6-methoxybenzamide
CID 107796967
N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458626

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide (CID 81410023) is 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide?
The InChIKey is DDRVLBSVAJZVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-10-4-2-3-9(15)12(10)13(18)17-11-6-5-8(14)7-16-11/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide?
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide is sourced from PubChem (CID 81410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).