N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C20H21N3O2 — CID 84612967

IUPACN-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)Nc1cccc(N)c1)CC3
InChIInChI=1S/C20H21N3O2/c1-25-15-6-8-19-17(11-15)16-9-12(5-7-18(16)23-19)20(24)22-14-4-2-3-13(21)10-14/h2-4,6,8,10-12,23H,5,7,9,21H2,1H3,(H,22,24)
InChIKeyDYBAFJMSKFRMTK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.50
Rot. Bonds3

About N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 84612967) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID84612967
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)Nc1cccc(N)c1)CC3
InChIInChI=1S/C20H21N3O2/c1-25-15-6-8-19-17(11-15)16-9-12(5-7-18(16)23-19)20(24)22-14-4-2-3-13(21)10-14/h2-4,6,8,10-12,23H,5,7,9,21H2,1H3,(H,22,24)
InChIKeyDYBAFJMSKFRMTK-UHFFFAOYSA-N
XLogP3.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
N-(3,4-dimethoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204168
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenylurea
CID 113097077
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203979
6-methoxy-N-(2-morpholin-4-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203943
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203865
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203962

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 84612967) is N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is COc1ccc2[nH]c3c(c2c1)CC(C(=O)Nc1cccc(N)c1)CC3.
What is the InChIKey of N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is DYBAFJMSKFRMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-15-6-8-19-17(11-15)16-9-12(5-7-18(16)23-19)20(24)22-14-4-2-3-13(21)10-14/h2-4,6,8,10-12,23H,5,7,9,21H2,1H3,(H,22,24).
What are the key properties of N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 84612967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).