3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone

C24H43N5O — CID 144703197

About 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone (PubChem CID 144703197) has the molecular formula C24H43N5O and a molecular weight of 417.64 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone.

Molecular Properties

• Compound Name: 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
• PubChem CID: 144703197
• Molecular Formula: C24H43N5O
• Molecular Weight: 417.64 g/mol
• Exact Mass: 417.35
• IUPAC Name: 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone
• SMILES: CC1CCCC(NC2CCN(C)C(NC3CCCC(C(=O)N4CC=CCC4)C3)N2)C1
• InChI: InChI=1S/C24H43N5O/c1-18-8-6-10-20(16-18)25-22-12-15-28(2)24(27-22)26-21-11-7-9-19(17-21)23(30)29-13-4-3-5-14-29/h3-4,18-22,24-27H,5-17H2,1-2H3
• InChIKey: QOEAQRCNMDEYKW-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 59.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.64
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?

The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone (CID 144703197) is 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone.

What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?

The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone is CC1CCCC(NC2CCN(C)C(NC3CCCC(C(=O)N4CC=CCC4)C3)N2)C1.

What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?

The InChIKey is QOEAQRCNMDEYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O/c1-18-8-6-10-20(16-18)25-22-12-15-28(2)24(27-22)26-21-11-7-9-19(17-21)23(30)29-13-4-3-5-14-29/h3-4,18-22,24-27H,5-17H2,1-2H3.

What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone?

3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone has a molecular weight of 417.64 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dihydro-2H-pyridin-1-yl-[3-[[1-methyl-4-[(3-methylcyclohexyl)amino]-1,3-diazinan-2-yl]amino]cyclohexyl]methanone is sourced from PubChem (CID 144703197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).