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

C18H28N4O — CID 95629165

IUPAC(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
SMILESCCCCCC[C@H](CC)C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C18H28N4O/c1-3-5-6-7-10-15(4-2)18(23)19-13-12-17-21-20-16-11-8-9-14-22(16)17/h8-9,11,14-15H,3-7,10,12-13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyHDYBQCJYPHWEDH-HNNXBMFYSA-N
MW316.45 g/mol
LogP3.38
Rot. Bonds10

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

(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide (PubChem CID 95629165) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
PubChem CID95629165
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide
SMILESCCCCCC[C@H](CC)C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C18H28N4O/c1-3-5-6-7-10-15(4-2)18(23)19-13-12-17-21-20-16-11-8-9-14-22(16)17/h8-9,11,14-15H,3-7,10,12-13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyHDYBQCJYPHWEDH-HNNXBMFYSA-N
XLogP3.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-hexyl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111033877
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
1-ethyl-2-hexyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111160612
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767825
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 106112421
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
4-methylsulfanyl-2-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 121238820
1-ethyl-2-(7-methyloctyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111204778
2-(aminomethyl)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 115432348
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111767824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide?
The IUPAC name of (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide (CID 95629165) is (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide?
The canonical SMILES for (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide is CCCCCC[C@H](CC)C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide?
The InChIKey is HDYBQCJYPHWEDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-5-6-7-10-15(4-2)18(23)19-13-12-17-21-20-16-11-8-9-14-22(16)17/h8-9,11,14-15H,3-7,10,12-13H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide?
(2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide has a molecular weight of 316.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]octanamide is sourced from PubChem (CID 95629165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).