(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 95237254

IUPAC(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1C
InChIInChI=1S/C21H23N3O3/c1-13-14(2)23-19-6-5-15(8-18(13)19)10-22-21(26)16-9-20(25)24(11-16)12-17-4-3-7-27-17/h3-8,16,23H,9-12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyKTTAKJBWDTXKFO-MRXNPFEDSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds5

About (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95237254) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95237254
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1C
InChIInChI=1S/C21H23N3O3/c1-13-14(2)23-19-6-5-15(8-18(13)19)10-22-21(26)16-9-20(25)24(11-16)12-17-4-3-7-27-17/h3-8,16,23H,9-12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyKTTAKJBWDTXKFO-MRXNPFEDSA-N
XLogP3.04
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55957406
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 37053630
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55679309
1-[2-(dimethylamino)ethyl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56875729
(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 51237853
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 95237254) is (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is Cc1[nH]c2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1C.
What is the InChIKey of (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KTTAKJBWDTXKFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-14(2)23-19-6-5-15(8-18(13)19)10-22-21(26)16-9-20(25)24(11-16)12-17-4-3-7-27-17/h3-8,16,23H,9-12H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95237254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).