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

C15H13ClN4O — CID 51247608

IUPAC3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12
InChIInChI=1S/C15H13ClN4O/c1-10(14-19-18-13-7-2-3-8-20(13)14)17-15(21)11-5-4-6-12(16)9-11/h2-10H,1H3,(H,17,21)
InChIKeyHLTXJCAZCCSXAL-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.87
Rot. Bonds3

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

3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 51247608) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID51247608
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12
InChIInChI=1S/C15H13ClN4O/c1-10(14-19-18-13-7-2-3-8-20(13)14)17-15(21)11-5-4-6-12(16)9-11/h2-10H,1H3,(H,17,21)
InChIKeyHLTXJCAZCCSXAL-UHFFFAOYSA-N
XLogP2.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 7693751
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97265928
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47013085
7-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 51247932
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
CID 95306915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 51247608) is 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CC(NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12.
What is the InChIKey of 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is HLTXJCAZCCSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10(14-19-18-13-7-2-3-8-20(13)14)17-15(21)11-5-4-6-12(16)9-11/h2-10H,1H3,(H,17,21).
What are the key properties of 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 300.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 51247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).