(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

C22H23N3O3 — CID 92516183

IUPAC(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H23N3O3/c1-13-3-9-19-17(11-13)18-12-15(6-10-20(18)23-19)22(27)25-24-21(26)14-4-7-16(28-2)8-5-14/h4-8,10,12-13,23H,3,9,11H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyTXHVUEKJZVPVCI-CYBMUJFWSA-N
MW377.44 g/mol
LogP3.38
Rot. Bonds3

About (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide

(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (PubChem CID 92516183) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.

Molecular Properties

Compound Name(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
PubChem CID92516183
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1
InChIInChI=1S/C22H23N3O3/c1-13-3-9-19-17(11-13)18-12-15(6-10-20(18)23-19)22(27)25-24-21(26)14-4-7-16(28-2)8-5-14/h4-8,10,12-13,23H,3,9,11H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyTXHVUEKJZVPVCI-CYBMUJFWSA-N
XLogP3.38
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide 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'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
methyl 4-methyl-2-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]pentanoate
CID 18284651
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
(6S)-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 40896802
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
(6R)-6-methyl-N-[(1R)-1-pyridin-4-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41376896

Frequently Asked Questions

What is the IUPAC name of (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The IUPAC name of (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide (CID 92516183) is (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide.
What is the SMILES notation for (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The canonical SMILES for (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1.
What is the InChIKey of (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
The InChIKey is TXHVUEKJZVPVCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-3-9-19-17(11-13)18-12-15(6-10-20(18)23-19)22(27)25-24-21(26)14-4-7-16(28-2)8-5-14/h4-8,10,12-13,23H,3,9,11H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1.
What are the key properties of (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide?
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide has a molecular weight of 377.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide is sourced from PubChem (CID 92516183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).