N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H14N4O3 — CID 53190725

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1nc2c(NC(=O)C3COc4ccccc4O3)cccn2n1
InChIInChI=1S/C16H14N4O3/c1-10-17-15-11(5-4-8-20(15)19-10)18-16(21)14-9-22-12-6-2-3-7-13(12)23-14/h2-8,14H,9H2,1H3,(H,18,21)
InChIKeyKYQKCRAPOHMHQL-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.82
Rot. Bonds2

About N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 53190725) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID53190725
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1nc2c(NC(=O)C3COc4ccccc4O3)cccn2n1
InChIInChI=1S/C16H14N4O3/c1-10-17-15-11(5-4-8-20(15)19-10)18-16(21)14-9-22-12-6-2-3-7-13(12)23-14/h2-8,14H,9H2,1H3,(H,18,21)
InChIKeyKYQKCRAPOHMHQL-UHFFFAOYSA-N
XLogP1.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
(3R)-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724295
(3R)-N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 886351
(3S)-N-(2-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1084125
(3S)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122283912
1-acetyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperidine-4-carboxamide
CID 53190726
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60653541
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
N-[2-(bromomethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114309728
(3R)-N-(2-ethylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463995
N-(2-amino-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115912259
(3S)-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463996

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 53190725) is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1nc2c(NC(=O)C3COc4ccccc4O3)cccn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KYQKCRAPOHMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-17-15-11(5-4-8-20(15)19-10)18-16(21)14-9-22-12-6-2-3-7-13(12)23-14/h2-8,14H,9H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 53190725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).