(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C26H34N4O3 — CID 70696261

IUPAC(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN(CCCC(=O)NCC#N)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyGUNCOSCOXDDNME-LJQANCHMSA-N
MW450.58 g/mol
LogP3.20
Rot. Bonds7

About (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide

(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 70696261) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID70696261
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN(CCCC(=O)NCC#N)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1
InChIInChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyGUNCOSCOXDDNME-LJQANCHMSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-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

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 70696261) is (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CN(CCCC(=O)NCC#N)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1.
What is the InChIKey of (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is GUNCOSCOXDDNME-LJQANCHMSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1.
What are the key properties of (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 70696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).