1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride

C25H30ClN3O — CID 70107632

About 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride (PubChem CID 70107632) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride
• PubChem CID: 70107632
• Molecular Formula: C25H30ClN3O
• Molecular Weight: 423.99 g/mol
• Exact Mass: 423.21
• IUPAC Name: 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride
• SMILES: Cc1ccc(-c2c(C(=O)NC3CC4CCC(C3)N4C)c3ccccc3n2C)cc1.Cl
• InChI: InChI=1S/C25H29N3O.ClH/c1-16-8-10-17(11-9-16)24-23(21-6-4-5-7-22(21)28(24)3)25(29)26-18-14-19-12-13-20(15-18)27(19)2;/h4-11,18-20H,12-15H2,1-3H3,(H,26,29);1H
• InChIKey: YWJHNPJWKRQRSJ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.99
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride?

The IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride (CID 70107632) is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride?

The canonical SMILES for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride is Cc1ccc(-c2c(C(=O)NC3CC4CCC(C3)N4C)c3ccccc3n2C)cc1.Cl.

What is the InChIKey of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride?

The InChIKey is YWJHNPJWKRQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.ClH/c1-16-8-10-17(11-9-16)24-23(21-6-4-5-7-22(21)28(24)3)25(29)26-18-14-19-12-13-20(15-18)27(19)2;/h4-11,18-20H,12-15H2,1-3H3,(H,26,29);1H.

What are the key properties of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride?

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 70107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).