N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide

C17H23N3O — CID 52865791

IUPACN-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-13(2)12-20-10-7-14-11-15(5-6-16(14)20)18-17(21)19-8-3-4-9-19/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,18,21)
InChIKeyOYQJVKHPJMRYNJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds3

About N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide

N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 52865791) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
PubChem CID52865791
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-13(2)12-20-10-7-14-11-15(5-6-16(14)20)18-17(21)19-8-3-4-9-19/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,18,21)
InChIKeyOYQJVKHPJMRYNJ-UHFFFAOYSA-N
XLogP3.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide 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-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 129325198
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide (CID 52865791) is N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCCC3)ccc21.
What is the InChIKey of N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is OYQJVKHPJMRYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)12-20-10-7-14-11-15(5-6-16(14)20)18-17(21)19-8-3-4-9-19/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52865791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).