N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C16H15BrN4O — CID 71701241

IUPACN-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCCc1nnc2ccccn12)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O/c17-12-5-3-6-13(11-12)18-16(22)9-4-8-15-20-19-14-7-1-2-10-21(14)15/h1-3,5-7,10-11H,4,8-9H2,(H,18,22)
InChIKeyKAJORSPRGDSWTR-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.45
Rot. Bonds5

About N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 71701241) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID71701241
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCCc1nnc2ccccn12)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN4O/c17-12-5-3-6-13(11-12)18-16(22)9-4-8-15-20-19-14-7-1-2-10-21(14)15/h1-3,5-7,10-11H,4,8-9H2,(H,18,22)
InChIKeyKAJORSPRGDSWTR-UHFFFAOYSA-N
XLogP3.45
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide
CID 71705594
2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021001
N-(3-bromophenyl)heptanamide
CID 4596383
1-(3-methylphenyl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111033847
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
3-(4-bromopyrazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947367
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 75489615
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 71701241) is N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is O=C(CCCc1nnc2ccccn12)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is KAJORSPRGDSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-12-5-3-6-13(11-12)18-16(22)9-4-8-15-20-19-14-7-1-2-10-21(14)15/h1-3,5-7,10-11H,4,8-9H2,(H,18,22).
What are the key properties of N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 359.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 71701241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).