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

C20H19N5O — CID 32582075

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H19N5O/c1-2-25-13-22-24-20(25)14-6-5-7-16(10-14)23-19(26)11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,21H,2,11H2,1H3,(H,23,26)
InChIKeyCGGGAPXNENYAFQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.63
Rot. Bonds5

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

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 32582075) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID32582075
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H19N5O/c1-2-25-13-22-24-20(25)14-6-5-7-16(10-14)23-19(26)11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,21H,2,11H2,1H3,(H,23,26)
InChIKeyCGGGAPXNENYAFQ-UHFFFAOYSA-N
XLogP3.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036451
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
2-(5-methoxy-1H-indol-3-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 136576879
2-(4-ethylphenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 32581166
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 31917587
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 32576569
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide (CID 32582075) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide is CCn1cnnc1-c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is CGGGAPXNENYAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-25-13-22-24-20(25)14-6-5-7-16(10-14)23-19(26)11-15-12-21-18-9-4-3-8-17(15)18/h3-10,12-13,21H,2,11H2,1H3,(H,23,26).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 32582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).