N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide

C22H22N4O3 — CID 42651225

IUPACN-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H22N4O3/c27-20-13-15(14-26(20)16-5-2-1-3-6-16)21(28)24-11-12-25-22(29)18-7-4-8-19-17(18)9-10-23-19/h1-10,15,23H,11-14H2,(H,24,28)(H,25,29)
InChIKeyMVVXMBQOYNOLEM-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.07
Rot. Bonds6

About N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide

N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide (PubChem CID 42651225) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
PubChem CID42651225
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H22N4O3/c27-20-13-15(14-26(20)16-5-2-1-3-6-16)21(28)24-11-12-25-22(29)18-7-4-8-19-17(18)9-10-23-19/h1-10,15,23H,11-14H2,(H,24,28)(H,25,29)
InChIKeyMVVXMBQOYNOLEM-UHFFFAOYSA-N
XLogP2.07
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
CID 29140807
(3R)-N-[2-[(2-bromobenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29135405
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-[2-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 42651319
N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 29131212
(3R)-N-[2-(furan-3-carbonylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94612242
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651962
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
N-[2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29136194
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide (CID 42651225) is N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide is O=C(NCCNC(=O)C1CC(=O)N(c2ccccc2)C1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide?
The InChIKey is MVVXMBQOYNOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20-13-15(14-26(20)16-5-2-1-3-6-16)21(28)24-11-12-25-22(29)18-7-4-8-19-17(18)9-10-23-19/h1-10,15,23H,11-14H2,(H,24,28)(H,25,29).
What are the key properties of N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide?
N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 42651225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).