N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C₁₉H₁₆FN₃O₂ — CID 15952150

About N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15952150) has the molecular formula C₁₉H₁₆FN₃O₂ and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
• PubChem CID: 15952150
• Molecular Formula: C₁₉H₁₆FN₃O₂
• Molecular Weight: 337.35 g/mol
• Exact Mass: 337.12
• IUPAC Name: N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
• SMILES: CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4F)cc3c21
• InChI: InChI=1S/C19H16FN3O2/c1-10-9-21-19(25)17-16(10)12-8-11(6-7-14(12)22-17)18(24)23-15-5-3-2-4-13(15)20/h2-8,10,22H,9H2,1H3,(H,21,25)(H,23,24)
• InChIKey: VRSXQRFFXZUSGP-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.35
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15952150) is N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4F)cc3c21.

What is the InChIKey of N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?

The InChIKey is VRSXQRFFXZUSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-10-9-21-19(25)17-16(10)12-8-11(6-7-14(12)22-17)18(24)23-15-5-3-2-4-13(15)20/h2-8,10,22H,9H2,1H3,(H,21,25)(H,23,24).

What are the key properties of N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?

N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15952150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15952150 — identifiers, structure, computed properties (public domain)

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