6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H22N4O2 — CID 46431719

About 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 46431719) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• PubChem CID: 46431719
• Molecular Formula: C24H22N4O2
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.17
• IUPAC Name: 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• SMILES: CC1CCc2[nH]c3c(C(=O)Nc4cccc(Oc5cnccn5)c4)cccc3c2C1
• InChI: InChI=1S/C24H22N4O2/c1-15-8-9-21-20(12-15)18-6-3-7-19(23(18)28-21)24(29)27-16-4-2-5-17(13-16)30-22-14-25-10-11-26-22/h2-7,10-11,13-15,28H,8-9,12H2,1H3,(H,27,29)
• InChIKey: QJZQKBFPSYDYFM-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The IUPAC name of 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 46431719) is 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

What is the SMILES notation for 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The canonical SMILES for 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)Nc4cccc(Oc5cnccn5)c4)cccc3c2C1.

What is the InChIKey of 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The InChIKey is QJZQKBFPSYDYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-8-9-21-20(12-15)18-6-3-7-19(23(18)28-21)24(29)27-16-4-2-5-17(13-16)30-22-14-25-10-11-26-22/h2-7,10-11,13-15,28H,8-9,12H2,1H3,(H,27,29).

What are the key properties of 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 46431719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).