2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C13H13BrN6O — CID 166364174

IUPAC2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(CNC(=O)c1ccc2nc(Br)nn2c1)c1ncc[nH]1
InChIInChI=1S/C13H13BrN6O/c1-8(11-15-4-5-16-11)6-17-12(21)9-2-3-10-18-13(14)19-20(10)7-9/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,21)
InChIKeyBZVCXSDTEISLHO-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.75
Rot. Bonds4

About 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 166364174) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID166364174
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC Name2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCC(CNC(=O)c1ccc2nc(Br)nn2c1)c1ncc[nH]1
InChIInChI=1S/C13H13BrN6O/c1-8(11-15-4-5-16-11)6-17-12(21)9-2-3-10-18-13(14)19-20(10)7-9/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,21)
InChIKeyBZVCXSDTEISLHO-UHFFFAOYSA-N
XLogP1.75
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide with MolForge

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Related Compounds

2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
CID 112713257
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 97121450
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]acetamide
CID 22883888
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-[2-(diethylamino)ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 14664370
6-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102904942
1-(2,2-difluoroethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 114610004
4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64511499
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 59233137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 166364174) is 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CC(CNC(=O)c1ccc2nc(Br)nn2c1)c1ncc[nH]1.
What is the InChIKey of 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is BZVCXSDTEISLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6O/c1-8(11-15-4-5-16-11)6-17-12(21)9-2-3-10-18-13(14)19-20(10)7-9/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,21).
What are the key properties of 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1H-imidazol-2-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 166364174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).