N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide

C20H21N3O — CID 84613696

IUPACN-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
SMILESCn1c2c(c3cccc(C(=O)Nc4ccc(N)cc4)c31)CCCC2
InChIInChI=1S/C20H21N3O/c1-23-18-8-3-2-5-15(18)16-6-4-7-17(19(16)23)20(24)22-14-11-9-13(21)10-12-14/h4,6-7,9-12H,2-3,5,8,21H2,1H3,(H,22,24)
InChIKeyAZGUIWYNCHLONU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.89
Rot. Bonds2

About N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide

N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide (PubChem CID 84613696) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
PubChem CID84613696
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
SMILESCn1c2c(c3cccc(C(=O)Nc4ccc(N)cc4)c31)CCCC2
InChIInChI=1S/C20H21N3O/c1-23-18-8-3-2-5-15(18)16-6-4-7-17(19(16)23)20(24)22-14-11-9-13(21)10-12-14/h4,6-7,9-12H,2-3,5,8,21H2,1H3,(H,22,24)
InChIKeyAZGUIWYNCHLONU-UHFFFAOYSA-N
XLogP3.89
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-8,9-dimethyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide
CID 84613109
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CID 7687294
N-(4-aminophenyl)-2-selanylbenzamide
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N-(4-aminophenyl)-2,6-dimethylbenzamide
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N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
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N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride
CID 142722130
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide (CID 84613696) is N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide is Cn1c2c(c3cccc(C(=O)Nc4ccc(N)cc4)c31)CCCC2.
What is the InChIKey of N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
The InChIKey is AZGUIWYNCHLONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23-18-8-3-2-5-15(18)16-6-4-7-17(19(16)23)20(24)22-14-11-9-13(21)10-12-14/h4,6-7,9-12H,2-3,5,8,21H2,1H3,(H,22,24).
What are the key properties of N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide?
N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-1-carboxamide is sourced from PubChem (CID 84613696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).