N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H12N4O4 — CID 126843646

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C15H12N4O4/c20-14(10-2-4-13-17-18-15(21)19(13)7-10)16-6-9-1-3-11-12(5-9)23-8-22-11/h1-5,7H,6,8H2,(H,16,20)(H,18,21)
InChIKeyYPSUKTSQHMTAOB-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.68
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 126843646) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID126843646
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C15H12N4O4/c20-14(10-2-4-13-17-18-15(21)19(13)7-10)16-6-9-1-3-11-12(5-9)23-8-22-11/h1-5,7H,6,8H2,(H,16,20)(H,18,21)
InChIKeyYPSUKTSQHMTAOB-UHFFFAOYSA-N
XLogP0.68
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-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

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585763
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 126843646) is N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is YPSUKTSQHMTAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-14(10-2-4-13-17-18-15(21)19(13)7-10)16-6-9-1-3-11-12(5-9)23-8-22-11/h1-5,7H,6,8H2,(H,16,20)(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 126843646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).