2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C23H21N5O5 — CID 53128348

IUPAC2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccccc4OC)c(=O)n3c2)cc1
InChIInChI=1S/C23H21N5O5/c1-32-17-10-8-16(9-11-17)24-22(30)15-7-12-20-26-28(23(31)27(20)13-15)14-21(29)25-18-5-3-4-6-19(18)33-2/h3-13H,14H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyMBVONGXYWBUCDQ-UHFFFAOYSA-N
MW447.45 g/mol
LogP2.40
Rot. Bonds7

About 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53128348) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID53128348
Molecular FormulaC23H21N5O5
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccccc4OC)c(=O)n3c2)cc1
InChIInChI=1S/C23H21N5O5/c1-32-17-10-8-16(9-11-17)24-22(30)15-7-12-20-26-28(23(31)27(20)13-15)14-21(29)25-18-5-3-4-6-19(18)33-2/h3-13H,14H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyMBVONGXYWBUCDQ-UHFFFAOYSA-N
XLogP2.40
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128338
N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128356
2-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128369
2-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128371
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128363
2-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 22425623
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128352
ethyl 4-[[2-[6-(benzylcarbamoyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetyl]amino]benzoate
CID 53128391
2-[2-(3,4-difluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 22425606
N-benzyl-2-[2-(4-methylsulfonylanilino)-2-oxoethyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53128452
2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 1375465
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53128348) is 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccccc4OC)c(=O)n3c2)cc1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is MBVONGXYWBUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-32-17-10-8-16(9-11-17)24-22(30)15-7-12-20-26-28(23(31)27(20)13-15)14-21(29)25-18-5-3-4-6-19(18)33-2/h3-13H,14H2,1-2H3,(H,24,30)(H,25,29).
What are the key properties of 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).