2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide

C21H21N5O3 — CID 91638372

IUPAC2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccncc1
InChIInChI=1S/C21H21N5O3/c27-19(24-12-14-5-8-22-9-6-14)11-18-20(28)26(21(29)25-18)10-7-15-13-23-17-4-2-1-3-16(15)17/h1-6,8-9,13,18,23H,7,10-12H2,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyPVGCPWIKFHAASX-SFHVURJKSA-N
MW391.43 g/mol
LogP1.73
Rot. Bonds7

About 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide

2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 91638372) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID91638372
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccncc1
InChIInChI=1S/C21H21N5O3/c27-19(24-12-14-5-8-22-9-6-14)11-18-20(28)26(21(29)25-18)10-7-15-13-23-17-4-2-1-3-16(15)17/h1-6,8-9,13,18,23H,7,10-12H2,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyPVGCPWIKFHAASX-SFHVURJKSA-N
XLogP1.73
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
N-cyclopentyl-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124873371
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
N-cycloheptyl-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823490
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861044
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124673769
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110209805

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 91638372) is 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide is O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccncc1.
What is the InChIKey of 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is PVGCPWIKFHAASX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-19(24-12-14-5-8-22-9-6-14)11-18-20(28)26(21(29)25-18)10-7-15-13-23-17-4-2-1-3-16(15)17/h1-6,8-9,13,18,23H,7,10-12H2,(H,24,27)(H,25,29)/t18-/m0/s1.
What are the key properties of 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 91638372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).