3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H23N5O2 — CID 166276699

IUPAC3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC(c1ccccc1)C1CCNCC1)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C20H23N5O2/c26-19(16-6-7-18-23-24-20(27)25(18)13-16)22-12-17(14-4-2-1-3-5-14)15-8-10-21-11-9-15/h1-7,13,15,17,21H,8-12H2,(H,22,26)(H,24,27)
InChIKeyJXPMOZJHYHVEKU-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.54
Rot. Bonds5

About 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166276699) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166276699
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCC(c1ccccc1)C1CCNCC1)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C20H23N5O2/c26-19(16-6-7-18-23-24-20(27)25(18)13-16)22-12-17(14-4-2-1-3-5-14)15-8-10-21-11-9-15/h1-7,13,15,17,21H,8-12H2,(H,22,26)(H,24,27)
InChIKeyJXPMOZJHYHVEKU-UHFFFAOYSA-N
XLogP1.54
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166276699) is 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCC(c1ccccc1)C1CCNCC1)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JXPMOZJHYHVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19(16-6-7-18-23-24-20(27)25(18)13-16)22-12-17(14-4-2-1-3-5-14)15-8-10-21-11-9-15/h1-7,13,15,17,21H,8-12H2,(H,22,26)(H,24,27).
What are the key properties of 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-phenyl-2-piperidin-4-ylethyl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166276699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).