5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide

C23H29N3O2 — CID 68502773

About 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide

5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide (PubChem CID 68502773) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide
• PubChem CID: 68502773
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide
• SMILES: CCN(C)C(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
• InChI: InChI=1S/C23H29N3O2/c1-3-25(2)23(27)22-10-9-21(16-24-22)28-20-8-7-17-11-13-26(19-5-4-6-19)14-12-18(17)15-20/h7-10,15-16,19H,3-6,11-14H2,1-2H3
• InChIKey: POKZYPVKLAQCKC-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide (CID 68502773) is 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide is CCN(C)C(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1.

What is the InChIKey of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide?

The InChIKey is POKZYPVKLAQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(2)23(27)22-10-9-21(16-24-22)28-20-8-7-17-11-13-26(19-5-4-6-19)14-12-18(17)15-20/h7-10,15-16,19H,3-6,11-14H2,1-2H3.

What are the key properties of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide?

5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 68502773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).