N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide

C21H19N3O — CID 110207920

IUPACN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccccc21)c1cccc2[nH]ccc12
InChIInChI=1S/C21H19N3O/c25-21(16-7-4-9-17-14(16)11-12-22-17)24-19-10-3-6-15-13-5-1-2-8-18(13)23-20(15)19/h1-2,4-5,7-9,11-12,19,22-23H,3,6,10H2,(H,24,25)
InChIKeyYVFAIEOLAXLKIF-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.46
Rot. Bonds2

About N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide

N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide (PubChem CID 110207920) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
PubChem CID110207920
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1ccccc21)c1cccc2[nH]ccc12
InChIInChI=1S/C21H19N3O/c25-21(16-7-4-9-17-14(16)11-12-22-17)24-19-10-3-6-15-13-5-1-2-8-18(13)23-20(15)19/h1-2,4-5,7-9,11-12,19,22-23H,3,6,10H2,(H,24,25)
InChIKeyYVFAIEOLAXLKIF-UHFFFAOYSA-N
XLogP4.46
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide (CID 110207920) is N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide is O=C(NC1CCCc2c1[nH]c1ccccc21)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide?
The InChIKey is YVFAIEOLAXLKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(16-7-4-9-17-14(16)11-12-22-17)24-19-10-3-6-15-13-5-1-2-8-18(13)23-20(15)19/h1-2,4-5,7-9,11-12,19,22-23H,3,6,10H2,(H,24,25).
What are the key properties of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide?
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.46, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 110207920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).