2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide

C17H18N4O3 — CID 131925524

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
SMILESCc1cc2ccccc2n1CCNC(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C17H18N4O3/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)9-13-10-16(23)19-20-17(13)24/h2-5,8,10H,6-7,9H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyGLBTYOHYUZVQJZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.69
Rot. Bonds5

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide (PubChem CID 131925524) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
PubChem CID131925524
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
SMILESCc1cc2ccccc2n1CCNC(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C17H18N4O3/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)9-13-10-16(23)19-20-17(13)24/h2-5,8,10H,6-7,9H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyGLBTYOHYUZVQJZ-UHFFFAOYSA-N
XLogP0.69
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide (CID 131925524) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide is Cc1cc2ccccc2n1CCNC(=O)Cc1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
The InChIKey is GLBTYOHYUZVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-8-12-4-2-3-5-14(12)21(11)7-6-18-15(22)9-13-10-16(23)19-20-17(13)24/h2-5,8,10H,6-7,9H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 131925524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).