N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide

C20H26N4O3 — CID 3887038

IUPACN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)15(14(2)21-17)12-19(26)23-22-18(25)7-8-20(27)24-9-3-4-10-24/h5-6,11,21H,3-4,7-10,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHNISHKAJJSGPHC-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.88
Rot. Bonds5

About N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide

N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide (PubChem CID 3887038) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
PubChem CID3887038
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N3CCCC3)c2c1
InChIInChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)15(14(2)21-17)12-19(26)23-22-18(25)7-8-20(27)24-9-3-4-10-24/h5-6,11,21H,3-4,7-10,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHNISHKAJJSGPHC-UHFFFAOYSA-N
XLogP1.88
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide 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

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92560101
2-(2,5-dimethyl-1H-indol-3-yl)-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 51935933
N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673953
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(Z)-[(3S)-3-hydroxybutan-2-ylidene]amino]acetamide
CID 7317749
N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46588719
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464817
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide?
The IUPAC name of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide (CID 3887038) is N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide?
The canonical SMILES for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide is Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N3CCCC3)c2c1.
What is the InChIKey of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide?
The InChIKey is HNISHKAJJSGPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-5-6-17-16(11-13)15(14(2)21-17)12-19(26)23-22-18(25)7-8-20(27)24-9-3-4-10-24/h5-6,11,21H,3-4,7-10,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide?
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide has a molecular weight of 370.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide is sourced from PubChem (CID 3887038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).