N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C20H23N5O2 — CID 91955799

IUPACN-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H23N5O2/c26-19-7-6-18(20(27)22-8-3-10-24-11-9-21-14-24)25(19)13-15-12-23-17-5-2-1-4-16(15)17/h1-2,4-5,9,11-12,14,18,23H,3,6-8,10,13H2,(H,22,27)
InChIKeyMIKYUFABYVVUEI-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.06
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955799) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955799
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H23N5O2/c26-19-7-6-18(20(27)22-8-3-10-24-11-9-21-14-24)25(19)13-15-12-23-17-5-2-1-4-16(15)17/h1-2,4-5,9,11-12,14,18,23H,3,6-8,10,13H2,(H,22,27)
InChIKeyMIKYUFABYVVUEI-UHFFFAOYSA-N
XLogP2.06
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
(2S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739107
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 91955643
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955560

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 91955799) is N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MIKYUFABYVVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19-7-6-18(20(27)22-8-3-10-24-11-9-21-14-24)25(19)13-15-12-23-17-5-2-1-4-16(15)17/h1-2,4-5,9,11-12,14,18,23H,3,6-8,10,13H2,(H,22,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).