3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide

C9H8BrN5O2 — CID 107519851

IUPAC3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ncccc2Br)n1
InChIInChI=1S/C9H8BrN5O2/c1-17-9-13-8(14-15-9)12-7(16)6-5(10)3-2-4-11-6/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyFTURIQIHAZOMKV-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.22
Rot. Bonds3

About 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide

3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide (PubChem CID 107519851) has the molecular formula C9H8BrN5O2 and a molecular weight of 298.10 g/mol. Its IUPAC name is 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
PubChem CID107519851
Molecular FormulaC9H8BrN5O2
Molecular Weight298.10 g/mol
Exact Mass296.99
IUPAC Name3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ncccc2Br)n1
InChIInChI=1S/C9H8BrN5O2/c1-17-9-13-8(14-15-9)12-7(16)6-5(10)3-2-4-11-6/h2-4H,1H3,(H2,12,13,14,15,16)
InChIKeyFTURIQIHAZOMKV-UHFFFAOYSA-N
XLogP1.22
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
CID 83101934
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 83101038
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83092939
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103947311

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide (CID 107519851) is 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide is COc1n[nH]c(NC(=O)c2ncccc2Br)n1.
What is the InChIKey of 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The InChIKey is FTURIQIHAZOMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O2/c1-17-9-13-8(14-15-9)12-7(16)6-5(10)3-2-4-11-6/h2-4H,1H3,(H2,12,13,14,15,16).
What are the key properties of 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide has a molecular weight of 298.10 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107519851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).