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

C24H22N4O — CID 92734660

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

(1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 92734660) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• PubChem CID: 92734660
• Molecular Formula: C24H22N4O
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.18
• IUPAC Name: (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
• SMILES: Cc1cccc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2cccnc2)c1
• InChI: InChI=1S/C24H22N4O/c1-16-6-4-8-18(14-16)26-24(29)28-13-11-20-19-9-2-3-10-21(19)27-22(20)23(28)17-7-5-12-25-15-17/h2-10,12,14-15,23,27H,11,13H2,1H3,(H,26,29)/t23-/m1/s1
• InChIKey: LJJFCMDJRQSTAW-HSZRJFAPSA-N
• XLogP: 5.05
• 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	382.47
LogP ≤ 5	5.05
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-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?

The IUPAC name of (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 92734660) is (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

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

The canonical SMILES for (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is Cc1cccc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2cccnc2)c1.

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

The InChIKey is LJJFCMDJRQSTAW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16-6-4-8-18(14-16)26-24(29)28-13-11-20-19-9-2-3-10-21(19)27-22(20)23(28)17-7-5-12-25-15-17/h2-10,12,14-15,23,27H,11,13H2,1H3,(H,26,29)/t23-/m1/s1.

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

(1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(3-methylphenyl)-1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 92734660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).