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

C21H20N4O3 — CID 110511148

IUPAC6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccccc4[N+](=O)[O-])cc3c2C1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-18-16(10-13)17-11-14(7-9-19(17)23-18)21(26)24-22-12-15-4-2-3-5-20(15)25(27)28/h2-5,7,9,11-13,23H,6,8,10H2,1H3,(H,24,26)/b22-12-
InChIKeyAJJVJFYUUNYVFS-UUYOSTAYSA-N
MW376.42 g/mol
LogP3.96
Rot. Bonds4

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

6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110511148) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110511148
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccccc4[N+](=O)[O-])cc3c2C1
InChIInChI=1S/C21H20N4O3/c1-13-6-8-18-16(10-13)17-11-14(7-9-19(17)23-18)21(26)24-22-12-15-4-2-3-5-20(15)25(27)28/h2-5,7,9,11-13,23H,6,8,10H2,1H3,(H,24,26)/b22-12-
InChIKeyAJJVJFYUUNYVFS-UUYOSTAYSA-N
XLogP3.96
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511130
6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511065
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511023
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511136
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511145
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511110
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-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787307
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110511148) is 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC1CCc2[nH]c3ccc(C(=O)N/N=C\c4ccccc4[N+](=O)[O-])cc3c2C1.
What is the InChIKey of 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is AJJVJFYUUNYVFS-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-6-8-18-16(10-13)17-11-14(7-9-19(17)23-18)21(26)24-22-12-15-4-2-3-5-20(15)25(27)28/h2-5,7,9,11-13,23H,6,8,10H2,1H3,(H,24,26)/b22-12-.
What are the key properties of 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110511148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).