2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide

C14H14BrN3O3 — CID 115950780

IUPAC2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-20-8-5-9(13(16)12(6-8)21-2)14(19)18-11-3-4-17-7-10(11)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyLLZZYGSKBJUCCI-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide

2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide (PubChem CID 115950780) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
PubChem CID115950780
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-20-8-5-9(13(16)12(6-8)21-2)14(19)18-11-3-4-17-7-10(11)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyLLZZYGSKBJUCCI-UHFFFAOYSA-N
XLogP2.70
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 115950747
N-(2-bromo-5-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245977
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
CID 107075793
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
CID 116794634
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
CID 104616629
3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
CID 17493489
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide (CID 115950780) is 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide is COc1cc(OC)c(N)c(C(=O)Nc2ccncc2Br)c1.
What is the InChIKey of 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide?
The InChIKey is LLZZYGSKBJUCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-20-8-5-9(13(16)12(6-8)21-2)14(19)18-11-3-4-17-7-10(11)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide?
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide has a molecular weight of 352.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 115950780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).