7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

C23H25N3O — CID 123230816

About 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 123230816) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

• Compound Name: 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine
• PubChem CID: 123230816
• Molecular Formula: C23H25N3O
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.20
• IUPAC Name: 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine
• SMILES: Cc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCCCN3)c1
• InChI: InChI=1S/C23H25N3O/c1-16-10-12-24-20(13-16)15-27-22-9-6-17(2)26-23(22)19-7-8-21-18(14-19)5-3-4-11-25-21/h6-10,12-14,25H,3-5,11,15H2,1-2H3
• InChIKey: DJIXZQYBWNZDMD-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 47.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine?

The IUPAC name of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 123230816) is 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine.

What is the SMILES notation for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine?

The canonical SMILES for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine is Cc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCCCN3)c1.

What is the InChIKey of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine?

The InChIKey is DJIXZQYBWNZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-10-12-24-20(13-16)15-27-22-9-6-17(2)26-23(22)19-7-8-21-18(14-19)5-3-4-11-25-21/h6-10,12-14,25H,3-5,11,15H2,1-2H3.

What are the key properties of 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine?

7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 359.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 123230816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).