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

C17H17BrN4O — CID 134030650

IUPAC3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1cccc(Br)c1)c1nnc2ccccn12
InChIInChI=1S/C17H17BrN4O/c1-12(17-21-20-15-7-2-3-10-22(15)17)19-16(23)9-8-13-5-4-6-14(18)11-13/h2-7,10-12H,8-9H2,1H3,(H,19,23)
InChIKeyJJAQDIGWYUAFOG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.30
Rot. Bonds5

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

3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (PubChem CID 134030650) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
PubChem CID134030650
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1cccc(Br)c1)c1nnc2ccccn12
InChIInChI=1S/C17H17BrN4O/c1-12(17-21-20-15-7-2-3-10-22(15)17)19-16(23)9-8-13-5-4-6-14(18)11-13/h2-7,10-12H,8-9H2,1H3,(H,19,23)
InChIKeyJJAQDIGWYUAFOG-UHFFFAOYSA-N
XLogP3.30
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51278349
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 71828148
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
6-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hexanamide
CID 43703569
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
4-(3-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247748
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
3-(3-chlorophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 51278371
2-(6-methyl-3-pyridinyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 95285831

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide (CID 134030650) is 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is CC(NC(=O)CCc1cccc(Br)c1)c1nnc2ccccn12.
What is the InChIKey of 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
The InChIKey is JJAQDIGWYUAFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-12(17-21-20-15-7-2-3-10-22(15)17)19-16(23)9-8-13-5-4-6-14(18)11-13/h2-7,10-12H,8-9H2,1H3,(H,19,23).
What are the key properties of 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide?
3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide has a molecular weight of 373.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide is sourced from PubChem (CID 134030650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).