6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H23N3O — CID 110511130

IUPAC6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C22H23N3O/c1-14-7-9-20-18(11-14)19-12-16(8-10-21(19)24-20)22(26)25-23-13-17-6-4-3-5-15(17)2/h3-6,8,10,12-14,24H,7,9,11H2,1-2H3,(H,25,26)/b23-13-
InChIKeyNGAVHICONIGHAO-QRVIBDJDSA-N
MW345.45 g/mol
LogP4.37
Rot. Bonds3

About 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110511130) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110511130
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCc1ccccc1/C=N\NC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3
InChIInChI=1S/C22H23N3O/c1-14-7-9-20-18(11-14)19-12-16(8-10-21(19)24-20)22(26)25-23-13-17-6-4-3-5-15(17)2/h3-6,8,10,12-14,24H,7,9,11H2,1-2H3,(H,25,26)/b23-13-
InChIKeyNGAVHICONIGHAO-QRVIBDJDSA-N
XLogP4.37
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-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

6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511148
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511145
6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511065
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511110
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511023
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787292
N-[(Z)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511116
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511136
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787307
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511084
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110511130) is 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Cc1ccccc1/C=N\NC(=O)c1ccc2[nH]c3c(c2c1)CC(C)CC3.
What is the InChIKey of 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is NGAVHICONIGHAO-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-7-9-20-18(11-14)19-12-16(8-10-21(19)24-20)22(26)25-23-13-17-6-4-3-5-15(17)2/h3-6,8,10,12-14,24H,7,9,11H2,1-2H3,(H,25,26)/b23-13-.
What are the key properties of 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110511130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).