[4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)

C24H39N4O2Rb — CID 145207927

About [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)

[4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+) (PubChem CID 145207927) has the molecular formula C24H39N4O2Rb and a molecular weight of 501.07 g/mol. Its IUPAC name is [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+).

Molecular Properties

• Compound Name: [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)
• PubChem CID: 145207927
• Molecular Formula: C24H39N4O2Rb
• Molecular Weight: 501.07 g/mol
• Exact Mass: 500.22
• IUPAC Name: [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)
• SMILES: C[N-]CC1CCC(C2CC(N)C(C)C(C(=O)NCc3c(C)cc(C)[nH]c3=O)C2)CC1.[Rb+]
• InChI: InChI=1S/C24H39N4O2.Rb/c1-14-9-15(2)28-24(30)21(14)13-27-23(29)20-10-19(11-22(25)16(20)3)18-7-5-17(6-8-18)12-26-4;/h9,16-20,22H,5-8,10-13,25H2,1-4H3,(H,27,29)(H,28,30);/q-1;+1
• InChIKey: JRJPLGKHVIFWOG-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 102.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.07
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)?

The IUPAC name of [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+) (CID 145207927) is [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+).

What is the SMILES notation for [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)?

The canonical SMILES for [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+) is C[N-]CC1CCC(C2CC(N)C(C)C(C(=O)NCc3c(C)cc(C)[nH]c3=O)C2)CC1.[Rb+].

What is the InChIKey of [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)?

The InChIKey is JRJPLGKHVIFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N4O2.Rb/c1-14-9-15(2)28-24(30)21(14)13-27-23(29)20-10-19(11-22(25)16(20)3)18-7-5-17(6-8-18)12-26-4;/h9,16-20,22H,5-8,10-13,25H2,1-4H3,(H,27,29)(H,28,30);/q-1;+1.

What are the key properties of [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+)?

[4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+) has a molecular weight of 501.07 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-amino-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylcyclohexyl]cyclohexyl]methyl-methylazanide;rubidium(1+) is sourced from PubChem (CID 145207927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).