4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

C22H27N5O2 — CID 22084742

IUPAC4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(OC2CNC(C(=O)NCCC3CNc4ccccc43)C2)c1
InChIInChI=1S/C22H27N5O2/c23-21(24)14-4-3-5-16(10-14)29-17-11-20(27-13-17)22(28)25-9-8-15-12-26-19-7-2-1-6-18(15)19/h1-7,10,15,17,20,26-27H,8-9,11-13H2,(H3,23,24)(H,25,28)
InChIKeyDONSJWPIINOGFS-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.80
Rot. Bonds7

About 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 22084742) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID22084742
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)c1cccc(OC2CNC(C(=O)NCCC3CNc4ccccc43)C2)c1
InChIInChI=1S/C22H27N5O2/c23-21(24)14-4-3-5-16(10-14)29-17-11-20(27-13-17)22(28)25-9-8-15-12-26-19-7-2-1-6-18(15)19/h1-7,10,15,17,20,26-27H,8-9,11-13H2,(H3,23,24)(H,25,28)
InChIKeyDONSJWPIINOGFS-UHFFFAOYSA-N
XLogP1.80
TPSA112.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-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

4-(3-carbamimidoylphenoxy)-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 22084744
4-phenoxypyrrolidine-2-carboxamide
CID 175784716
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
(2S)-N-(4-carbamimidoylphenyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide;dihydrochloride
CID 67667720
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107176784
(2S,4R)-1-benzoyl-4-(3-carbamimidoylphenoxy)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide;(2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-(3-carbamimidoylphenoxy)-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;3-[(3R,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide
CID 158151903
(2S,4R)-N-(3-hydroxypropyl)-4-isoquinolin-6-yloxypyrrolidine-2-carboxamide
CID 143705555
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
4-(3-carbamimidoylphenoxy)-1-ethylpyrrolidine-2-carboxylic acid
CID 22084737
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
CID 24709751
(2S,4R)-1-benzoyl-4-(3-carbamimidoylphenoxy)-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 10162374
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 22084742) is 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is [H]/N=C(\N)c1cccc(OC2CNC(C(=O)NCCC3CNc4ccccc43)C2)c1.
What is the InChIKey of 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DONSJWPIINOGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c23-21(24)14-4-3-5-16(10-14)29-17-11-20(27-13-17)22(28)25-9-8-15-12-26-19-7-2-1-6-18(15)19/h1-7,10,15,17,20,26-27H,8-9,11-13H2,(H3,23,24)(H,25,28).
What are the key properties of 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.80, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamimidoylphenoxy)-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22084742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).