N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H12N4O4 — CID 126843660

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C15H12N4O4/c20-14(9-1-4-13-17-18-15(21)19(13)8-9)16-10-2-3-11-12(7-10)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,18,21)
InChIKeyJBAMOMGVHIZVIQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.05
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 126843660) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID126843660
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2n[nH]c(=O)n2c1
InChIInChI=1S/C15H12N4O4/c20-14(9-1-4-13-17-18-15(21)19(13)8-9)16-10-2-3-11-12(7-10)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,18,21)
InChIKeyJBAMOMGVHIZVIQ-UHFFFAOYSA-N
XLogP1.05
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047812
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 126843660) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc2n[nH]c(=O)n2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is JBAMOMGVHIZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-14(9-1-4-13-17-18-15(21)19(13)8-9)16-10-2-3-11-12(7-10)23-6-5-22-11/h1-4,7-8H,5-6H2,(H,16,20)(H,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 126843660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).