N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide

C20H19N5O2 — CID 71700569

IUPACN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H19N5O2/c1-27-17-9-5-3-7-15(17)19(26)23-20-22-18(24-25-20)11-10-13-12-21-16-8-4-2-6-14(13)16/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyWSPVBKSLVUACDP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.33
Rot. Bonds6

About N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide

N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide (PubChem CID 71700569) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
PubChem CID71700569
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H19N5O2/c1-27-17-9-5-3-7-15(17)19(26)23-20-22-18(24-25-20)11-10-13-12-21-16-8-4-2-6-14(13)16/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26)
InChIKeyWSPVBKSLVUACDP-UHFFFAOYSA-N
XLogP3.33
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide (CID 71700569) is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
The InChIKey is WSPVBKSLVUACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-17-9-5-3-7-15(17)19(26)23-20-22-18(24-25-20)11-10-13-12-21-16-8-4-2-6-14(13)16/h2-9,12,21H,10-11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide?
N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide has a molecular weight of 361.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 71700569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).