[5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone

C23H28N4O — CID 58207416

About [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone

[5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone (PubChem CID 58207416) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
• PubChem CID: 58207416
• Molecular Formula: C23H28N4O
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.23
• IUPAC Name: [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
• SMILES: Cc1ncc(C2=CCCCC2)cc1C(=O)c1cccc(N2CCCNCC2)n1
• InChI: InChI=1S/C23H28N4O/c1-17-20(15-19(16-25-17)18-7-3-2-4-8-18)23(28)21-9-5-10-22(26-21)27-13-6-11-24-12-14-27/h5,7,9-10,15-16,24H,2-4,6,8,11-14H2,1H3
• InChIKey: SRPPSHGCXYGIJR-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?

The IUPAC name of [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone (CID 58207416) is [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?

The canonical SMILES for [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone is Cc1ncc(C2=CCCCC2)cc1C(=O)c1cccc(N2CCCNCC2)n1.

What is the InChIKey of [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?

The InChIKey is SRPPSHGCXYGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-20(15-19(16-25-17)18-7-3-2-4-8-18)23(28)21-9-5-10-22(26-21)27-13-6-11-24-12-14-27/h5,7,9-10,15-16,24H,2-4,6,8,11-14H2,1H3.

What are the key properties of [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?

[5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 58207416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).