2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide

C14H14BrN3O2 — CID 83166414

IUPAC2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ncc(Br)cc2C)c1
InChIInChI=1S/C14H14BrN3O2/c1-8-5-9(15)7-17-13(8)18-14(19)11-6-10(20-2)3-4-12(11)16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyREDDEGVOTVEUBT-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide

2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide (PubChem CID 83166414) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
PubChem CID83166414
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ncc(Br)cc2C)c1
InChIInChI=1S/C14H14BrN3O2/c1-8-5-9(15)7-17-13(8)18-14(19)11-6-10(20-2)3-4-12(11)16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyREDDEGVOTVEUBT-UHFFFAOYSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.00
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

N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 81487581
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-nitrobenzamide
CID 83169523
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962
2-amino-5-methoxy-N-pyrimidin-2-ylbenzamide
CID 54878484
5-[(2-amino-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 115413708
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
2-amino-5-methoxy-N-(5-trimethylsilyl-2-pyridinyl)benzamide
CID 89316590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide (CID 83166414) is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2ncc(Br)cc2C)c1.
What is the InChIKey of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide?
The InChIKey is REDDEGVOTVEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-5-9(15)7-17-13(8)18-14(19)11-6-10(20-2)3-4-12(11)16/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide?
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.00, 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-3-methyl-2-pyridinyl)-5-methoxybenzamide is sourced from PubChem (CID 83166414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).