N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide

C23H29N3O2 — CID 10429809

About N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide

N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide (PubChem CID 10429809) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
• PubChem CID: 10429809
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
• SMILES: CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2C)CC3)nc1
• InChI: InChI=1S/C23H29N3O2/c1-16-4-3-5-21(16)26-12-10-17-6-8-20(14-18(17)11-13-26)28-22-9-7-19(15-25-22)23(27)24-2/h6-9,14-16,21H,3-5,10-13H2,1-2H3,(H,24,27)
• InChIKey: GFJNSFLUMUHMHT-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide?

The IUPAC name of N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide (CID 10429809) is N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide is CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2C)CC3)nc1.

What is the InChIKey of N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide?

The InChIKey is GFJNSFLUMUHMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-4-3-5-21(16)26-12-10-17-6-8-20(14-18(17)11-13-26)28-22-9-7-19(15-25-22)23(27)24-2/h6-9,14-16,21H,3-5,10-13H2,1-2H3,(H,24,27).

What are the key properties of N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide?

N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 10429809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).