N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide

C25H26N4O3 — CID 172898736

IUPACN-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C1CCN(C(=O)C2CCC(=O)N2c2ccccc2)C1
InChIInChI=1S/C25H26N4O3/c30-23-11-10-22(29(23)20-7-2-1-3-8-20)25(32)28-13-12-18(16-28)24(31)26-15-19-14-17-6-4-5-9-21(17)27-19/h1-9,14,18,22,27H,10-13,15-16H2,(H,26,31)
InChIKeyZXCYLUCXUVACAV-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.83
Rot. Bonds5

About N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide

N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 172898736) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID172898736
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C1CCN(C(=O)C2CCC(=O)N2c2ccccc2)C1
InChIInChI=1S/C25H26N4O3/c30-23-11-10-22(29(23)20-7-2-1-3-8-20)25(32)28-13-12-18(16-28)24(31)26-15-19-14-17-6-4-5-9-21(17)27-19/h1-9,14,18,22,27H,10-13,15-16H2,(H,26,31)
InChIKeyZXCYLUCXUVACAV-UHFFFAOYSA-N
XLogP2.83
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1-phenylpyrrolidine-2-carboxamide
CID 110608828
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
1-benzoyl-N-[2-(1H-indol-2-yl)ethyl]piperidine-4-carboxamide
CID 21030345
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110628433
N-(1H-indol-2-ylmethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210616
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56800366
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 56800368

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide (CID 172898736) is N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide is O=C(NCc1cc2ccccc2[nH]1)C1CCN(C(=O)C2CCC(=O)N2c2ccccc2)C1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ZXCYLUCXUVACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-23-11-10-22(29(23)20-7-2-1-3-8-20)25(32)28-13-12-18(16-28)24(31)26-15-19-14-17-6-4-5-9-21(17)27-19/h1-9,14,18,22,27H,10-13,15-16H2,(H,26,31).
What are the key properties of N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide?
N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 172898736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).