N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide

C17H19N5O2 — CID 110455570

IUPACN-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide
SMILESCOCCNc1cccc2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-24-11-10-18-14-8-5-9-15-19-17(21-22(14)15)20-16(23)12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3,(H,20,21,23)
InChIKeyXMUKYUUGLZFZST-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.97
Rot. Bonds7

About N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide

N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide (PubChem CID 110455570) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide
PubChem CID110455570
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide
SMILESCOCCNc1cccc2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O2/c1-24-11-10-18-14-8-5-9-15-19-17(21-22(14)15)20-16(23)12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3,(H,20,21,23)
InChIKeyXMUKYUUGLZFZST-UHFFFAOYSA-N
XLogP1.97
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide (CID 110455570) is N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide is COCCNc1cccc2nc(NC(=O)Cc3ccccc3)nn12.
What is the InChIKey of N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide?
The InChIKey is XMUKYUUGLZFZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-11-10-18-14-8-5-9-15-19-17(21-22(14)15)20-16(23)12-13-6-3-2-4-7-13/h2-9,18H,10-12H2,1H3,(H,20,21,23).
What are the key properties of N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide?
N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide has a molecular weight of 325.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 110455570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).