4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C₁₈H₁₆N₄O₂ — CID 15951573

About 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951573) has the molecular formula C₁₈H₁₆N₄O₂ and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
• PubChem CID: 15951573
• Molecular Formula: C₁₈H₁₆N₄O₂
• Molecular Weight: 320.35 g/mol
• Exact Mass: 320.13
• IUPAC Name: 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
• SMILES: CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21
• InChI: InChI=1S/C18H16N4O2/c1-10-9-20-18(24)16-15(10)13-8-11(2-3-14(13)22-16)17(23)21-12-4-6-19-7-5-12/h2-8,10,22H,9H2,1H3,(H,20,24)(H,19,21,23)
• InChIKey: OSDRBLGNCDFLBO-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.35
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951573) is 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

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

The canonical SMILES for 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21.

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

The InChIKey is OSDRBLGNCDFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-9-20-18(24)16-15(10)13-8-11(2-3-14(13)22-16)17(23)21-12-4-6-19-7-5-12/h2-8,10,22H,9H2,1H3,(H,20,24)(H,19,21,23).

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

4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15951573 — identifiers, structure, computed properties (public domain)

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