N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide

C18H19N5O — CID 165434280

IUPACN-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nnc3ccccn23)C1)NCc1ccccc1
InChIInChI=1S/C18H19N5O/c24-17(19-10-14-6-2-1-3-7-14)13-22-11-15(12-22)18-21-20-16-8-4-5-9-23(16)18/h1-9,15H,10-13H2,(H,19,24)
InChIKeyVGWQXTXXOMVDDQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.44
Rot. Bonds5

About N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide

N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide (PubChem CID 165434280) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
PubChem CID165434280
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nnc3ccccn23)C1)NCc1ccccc1
InChIInChI=1S/C18H19N5O/c24-17(19-10-14-6-2-1-3-7-14)13-22-11-15(12-22)18-21-20-16-8-4-5-9-23(16)18/h1-9,15H,10-13H2,(H,19,24)
InChIKeyVGWQXTXXOMVDDQ-UHFFFAOYSA-N
XLogP1.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-[(1-phenylcyclopentyl)methyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841683
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841970
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
2-(4-aminopiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 79323405
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
2-[2-[(3S)-1-[2-(benzylamino)-2-oxoethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276544
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide
CID 30041112

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide (CID 165434280) is N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide is O=C(CN1CC(c2nnc3ccccn23)C1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide?
The InChIKey is VGWQXTXXOMVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(19-10-14-6-2-1-3-7-14)13-22-11-15(12-22)18-21-20-16-8-4-5-9-23(16)18/h1-9,15H,10-13H2,(H,19,24).
What are the key properties of N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide?
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 165434280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).