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

C17H18N6O2 — CID 166181192

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C17H18N6O2/c24-16(12-23-17(25)22-9-4-2-6-15(22)20-23)19-13-7-10-21(11-13)14-5-1-3-8-18-14/h1-6,8-9,13H,7,10-12H2,(H,19,24)
InChIKeyVZCACAQVQBODEU-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.29
Rot. Bonds4

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

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 166181192) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
PubChem CID166181192
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C17H18N6O2/c24-16(12-23-17(25)22-9-4-2-6-15(22)20-23)19-13-7-10-21(11-13)14-5-1-3-8-18-14/h1-6,8-9,13H,7,10-12H2,(H,19,24)
InChIKeyVZCACAQVQBODEU-UHFFFAOYSA-N
XLogP0.29
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(2-methylimidazol-1-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
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2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98311796
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
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CID 90621314
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide (CID 166181192) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is VZCACAQVQBODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(12-23-17(25)22-9-4-2-6-15(22)20-23)19-13-7-10-21(11-13)14-5-1-3-8-18-14/h1-6,8-9,13H,7,10-12H2,(H,19,24).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 166181192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).