N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide

C14H11BrN4O2 — CID 86643870

IUPACN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cccc(Br)n3n2)c1
InChIInChI=1S/C14H11BrN4O2/c1-21-10-5-2-4-9(8-10)13(20)17-14-16-12-7-3-6-11(15)19(12)18-14/h2-8H,1H3,(H,17,18,20)
InChIKeyQNTMUFLSYFFSHT-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.75
Rot. Bonds3

About N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide

N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide (PubChem CID 86643870) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
PubChem CID86643870
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC NameN-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cccc(Br)n3n2)c1
InChIInChI=1S/C14H11BrN4O2/c1-21-10-5-2-4-9(8-10)13(20)17-14-16-12-7-3-6-11(15)19(12)18-14/h2-8H,1H3,(H,17,18,20)
InChIKeyQNTMUFLSYFFSHT-UHFFFAOYSA-N
XLogP2.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanamide
CID 143929844
3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559749
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
CID 70807881
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
CID 53190407
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]pyridine-3-carboxamide
CID 108752676
N-[5-(3-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589691
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide (CID 86643870) is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3cccc(Br)n3n2)c1.
What is the InChIKey of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
The InChIKey is QNTMUFLSYFFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-21-10-5-2-4-9(8-10)13(20)17-14-16-12-7-3-6-11(15)19(12)18-14/h2-8H,1H3,(H,17,18,20).
What are the key properties of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide?
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide has a molecular weight of 347.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 86643870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).