1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide

C21H21N5O3 — CID 126787614

IUPAC1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCCC3C(=O)Nc4ccccc43)c2C)cc1
InChIInChI=1S/C21H21N5O3/c1-13-19(24-25-26(13)14-7-9-15(29-2)10-8-14)21(28)22-12-11-17-16-5-3-4-6-18(16)23-20(17)27/h3-10,17H,11-12H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyQXAUZMGUFARSFD-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.44
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 126787614) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID126787614
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCCC3C(=O)Nc4ccccc43)c2C)cc1
InChIInChI=1S/C21H21N5O3/c1-13-19(24-25-26(13)14-7-9-15(29-2)10-8-14)21(28)22-12-11-17-16-5-3-4-6-18(16)23-20(17)27/h3-10,17H,11-12H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyQXAUZMGUFARSFD-UHFFFAOYSA-N
XLogP2.44
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193
1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555823
2-methoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730190
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide
CID 98139514
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-[4-(4-fluorophenoxy)butyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 55598581
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide (CID 126787614) is 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)NCCC3C(=O)Nc4ccccc43)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is QXAUZMGUFARSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-19(24-25-26(13)14-7-9-15(29-2)10-8-14)21(28)22-12-11-17-16-5-3-4-6-18(16)23-20(17)27/h3-10,17H,11-12H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 126787614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).