(1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C23H19ClN4O — CID 92734670

About (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

(1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 92734670) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• PubChem CID: 92734670
• Molecular Formula: C23H19ClN4O
• Molecular Weight: 402.89 g/mol
• Exact Mass: 402.12
• IUPAC Name: (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1
• InChI: InChI=1S/C23H19ClN4O/c24-16-6-3-7-17(13-16)26-23(29)28-12-10-19-18-8-1-2-9-20(18)27-21(19)22(28)15-5-4-11-25-14-15/h1-9,11,13-14,22,27H,10,12H2,(H,26,29)/t22-/m1/s1
• InChIKey: OCYXDHQVUCUQMX-JOCHJYFZSA-N
• XLogP: 5.40
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.89
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
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 (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The IUPAC name of (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 92734670) is (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

What is the SMILES notation for (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The canonical SMILES for (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccnc1.

What is the InChIKey of (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The InChIKey is OCYXDHQVUCUQMX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-16-6-3-7-17(13-16)26-23(29)28-12-10-19-18-8-1-2-9-20(18)27-21(19)22(28)15-5-4-11-25-14-15/h1-9,11,13-14,22,27H,10,12H2,(H,26,29)/t22-/m1/s1.

What are the key properties of (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

(1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(3-chlorophenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 92734670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).