N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide

C22H16N6O3 — CID 44586717

IUPACN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29)
InChIKeyOTBVDTOGBXZBSN-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide (PubChem CID 44586717) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide
PubChem CID44586717
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC NameN-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29)
InChIKeyOTBVDTOGBXZBSN-UHFFFAOYSA-N
XLogP2.69
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-9-(pyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234865
N-(4-methoxyphenyl)-2,6-dioxo-1-phenyl-3-[(pyridin-4-ylcarbonyl)amino]hexahydropyrimidine-4-carboxamide
CID 3702169
7-Amino-4-(4-methoxyphenyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
CID 42626000
N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]acetamide
CID 42626075
N-benzoyl-N-[4-(4-methoxyphenyl)-3-oxo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl]benzamide
CID 42626077
A3AR antagonist 2
CID 42626221
US10112940, Example 96
CID 136953209
US10112940, Example 10
CID 137002297
3-(4-methoxyphenyl)-4-oxo-N-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-3,4-dihydro-1-phthalazinecarboxamide
CID 3236326
2-{[3-(4-Methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-(pyridin-2-YL)acetamide
CID 3427505
2-(4-methoxyanilino)-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 155540860
US10112940, Example 110
CID 137002281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide (CID 44586717) is N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide is COc1ccc(-n2nc3c(NC(=O)c4ccncc4)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide?
The InChIKey is OTBVDTOGBXZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c1-31-16-8-6-15(7-9-16)28-22(30)27-18-5-3-2-4-17(18)24-19(20(27)26-28)25-21(29)14-10-12-23-13-11-14/h2-13H,1H3,(H,24,25,29).
What are the key properties of N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 44586717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).