(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

C21H31N3O2 — CID 95551283

IUPAC(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)[C@H]3CCN(CCOC)C3)cc(C)cc2c1C
InChIInChI=1S/C21H31N3O2/c1-5-19-15(3)18-11-14(2)10-17(20(18)23-19)12-22-21(25)16-6-7-24(13-16)8-9-26-4/h10-11,16,23H,5-9,12-13H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyRZBOVZDSJKXASG-INIZCTEOSA-N
MW357.50 g/mol
LogP2.93
Rot. Bonds7

About (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 95551283) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID95551283
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCCc1[nH]c2c(CNC(=O)[C@H]3CCN(CCOC)C3)cc(C)cc2c1C
InChIInChI=1S/C21H31N3O2/c1-5-19-15(3)18-11-14(2)10-17(20(18)23-19)12-22-21(25)16-6-7-24(13-16)8-9-26-4/h10-11,16,23H,5-9,12-13H2,1-4H3,(H,22,25)/t16-/m0/s1
InChIKeyRZBOVZDSJKXASG-INIZCTEOSA-N
XLogP2.93
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95426783
(3S)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 124907126
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 56866510
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95563342
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide
CID 45251005
(3S)-1-(2-methoxyethyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 124846690
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
(2R)-1-methylsulfonyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyrrolidine-2-carboxamide
CID 95502882
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 95551283) is (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is CCc1[nH]c2c(CNC(=O)[C@H]3CCN(CCOC)C3)cc(C)cc2c1C.
What is the InChIKey of (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is RZBOVZDSJKXASG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-5-19-15(3)18-11-14(2)10-17(20(18)23-19)12-22-21(25)16-6-7-24(13-16)8-9-26-4/h10-11,16,23H,5-9,12-13H2,1-4H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95551283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).