(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H25N3O2 — CID 94619774

IUPAC(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C23H25N3O2/c27-22-13-18(15-26(22)19-9-10-19)23(28)24-20-7-3-1-6-17(20)14-25-12-11-16-5-2-4-8-21(16)25/h1-8,18-19H,9-15H2,(H,24,28)/t18-/m0/s1
InChIKeyQNGOYAQFUWEHJG-SFHVURJKSA-N
MW375.47 g/mol
LogP3.20
Rot. Bonds5

About (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94619774) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94619774
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1CCc2ccccc21)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C23H25N3O2/c27-22-13-18(15-26(22)19-9-10-19)23(28)24-20-7-3-1-6-17(20)14-25-12-11-16-5-2-4-8-21(16)25/h1-8,18-19H,9-15H2,(H,24,28)/t18-/m0/s1
InChIKeyQNGOYAQFUWEHJG-SFHVURJKSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55820004
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
1-[(2-chlorophenyl)methyl]-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17401411
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 129419104
2-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119853033
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 55676988
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55895212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 94619774) is (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1CN1CCc2ccccc21)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QNGOYAQFUWEHJG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-13-18(15-26(22)19-9-10-19)23(28)24-20-7-3-1-6-17(20)14-25-12-11-16-5-2-4-8-21(16)25/h1-8,18-19H,9-15H2,(H,24,28)/t18-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94619774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).