2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide

C20H20N6O2 — CID 121115997

IUPAC2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)Cc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C20H20N6O2/c1-25-19(17-8-4-5-9-21-17)24-26(20(25)28)11-10-22-18(27)12-14-13-23-16-7-3-2-6-15(14)16/h2-9,13,23H,10-12H2,1H3,(H,22,27)
InChIKeyRGYRKTKFGVYYRB-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.48
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 121115997) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID121115997
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)Cc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C20H20N6O2/c1-25-19(17-8-4-5-9-21-17)24-26(20(25)28)11-10-22-18(27)12-14-13-23-16-7-3-2-6-15(14)16/h2-9,13,23H,10-12H2,1H3,(H,22,27)
InChIKeyRGYRKTKFGVYYRB-UHFFFAOYSA-N
XLogP1.48
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
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3-(1,3-benzodioxol-5-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
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N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 91892859
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide (CID 121115997) is 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide is Cn1c(-c2ccccn2)nn(CCNC(=O)Cc2c[nH]c3ccccc23)c1=O.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is RGYRKTKFGVYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25-19(17-8-4-5-9-21-17)24-26(20(25)28)11-10-22-18(27)12-14-13-23-16-7-3-2-6-15(14)16/h2-9,13,23H,10-12H2,1H3,(H,22,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 121115997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).