cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone

C25H32N4O2 — CID 154974784

About cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone

cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone (PubChem CID 154974784) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
• PubChem CID: 154974784
• Molecular Formula: C25H32N4O2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.25
• IUPAC Name: cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
• SMILES: CN(c1ccc2c(c1)N(C(=O)C1CCCCC1)Cc1cccnc1N2)C1CCOCC1
• InChI: InChI=1S/C25H32N4O2/c1-28(20-11-14-31-15-12-20)21-9-10-22-23(16-21)29(25(30)18-6-3-2-4-7-18)17-19-8-5-13-26-24(19)27-22/h5,8-10,13,16,18,20H,2-4,6-7,11-12,14-15,17H2,1H3,(H,26,27)
• InChIKey: AVHKIFLNXNPYNO-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?

The IUPAC name of cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone (CID 154974784) is cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone.

What is the SMILES notation for cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?

The canonical SMILES for cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone is CN(c1ccc2c(c1)N(C(=O)C1CCCCC1)Cc1cccnc1N2)C1CCOCC1.

What is the InChIKey of cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?

The InChIKey is AVHKIFLNXNPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-28(20-11-14-31-15-12-20)21-9-10-22-23(16-21)29(25(30)18-6-3-2-4-7-18)17-19-8-5-13-26-24(19)27-22/h5,8-10,13,16,18,20H,2-4,6-7,11-12,14-15,17H2,1H3,(H,26,27).

What are the key properties of cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone?

cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[8-[methyl(oxan-4-yl)amino]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone is sourced from PubChem (CID 154974784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).