(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide

C26H35N3O3 — CID 25195780

IUPAC(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C26H35N3O3/c1-3-27-25(30)20-8-11-29(16-20)26(31)19-5-7-24-22(15-19)21-14-18(4-6-23(21)28(24)2)17-9-12-32-13-10-17/h5,7,15,17-18,20H,3-4,6,8-14,16H2,1-2H3,(H,27,30)/t18?,20-/m0/s1
InChIKeyRAFDJOCNIWDSGS-IJHRGXPZSA-N
MW437.58 g/mol
LogP3.31
Rot. Bonds4

About (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide

(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 25195780) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID25195780
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C26H35N3O3/c1-3-27-25(30)20-8-11-29(16-20)26(31)19-5-7-24-22(15-19)21-14-18(4-6-23(21)28(24)2)17-9-12-32-13-10-17/h5,7,15,17-18,20H,3-4,6,8-14,16H2,1-2H3,(H,27,30)/t18?,20-/m0/s1
InChIKeyRAFDJOCNIWDSGS-IJHRGXPZSA-N
XLogP3.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-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

(3R)-N-cyclopropyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 25195562
N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 25195564
N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
CID 25195676
[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-4-yl]carbamic acid
CID 67249815
[(3S)-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamic acid
CID 67249290
2-cyclopropyl-N-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]acetamide
CID 25195783
prop-1-en-2-yl N-[(3S)-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 89200790
tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
CID 159556903
tert-butyl 2-[1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]acetate;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 158950580
(6R)-N-[(3S)-6-(ethylamino)-1-hydroxy-6-oxohexan-3-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766400
N-ethyl-9-methyl-6-(oxan-4-yl)-N-(2-oxopentyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 159296235
N-[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 25197005

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide (CID 25195780) is (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCC(C3CCOCC3)C2)C1.
What is the InChIKey of (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is RAFDJOCNIWDSGS-IJHRGXPZSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-27-25(30)20-8-11-29(16-20)26(31)19-5-7-24-22(15-19)21-14-18(4-6-23(21)28(24)2)17-9-12-32-13-10-17/h5,7,15,17-18,20H,3-4,6,8-14,16H2,1-2H3,(H,27,30)/t18?,20-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-[9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25195780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).