cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate

C24H30F3N7O3 — CID 170788402

About cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate

cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate (PubChem CID 170788402) has the molecular formula C24H30F3N7O3 and a molecular weight of 521.54 g/mol. Its IUPAC name is cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate.

Molecular Properties

• Compound Name: cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate
• PubChem CID: 170788402
• Molecular Formula: C24H30F3N7O3
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.24
• IUPAC Name: cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate
• SMILES: [H]/N=C(\OC1CCC1)c1cc(N2CCC(N(C)C(=O)Nc3cc(C(F)(F)F)cn(C)c3=O)CC2)cnc1N
• InChI: InChI=1S/C24H30F3N7O3/c1-32-13-14(24(25,26)27)10-19(22(32)35)31-23(36)33(2)15-6-8-34(9-7-15)16-11-18(20(28)30-12-16)21(29)37-17-4-3-5-17/h10-13,15,17,29H,3-9H2,1-2H3,(H2,28,30)(H,31,36)/b29-21-
• InChIKey: AHLQEWMSBWESIK-ANYBSYGZSA-N
• XLogP: 3.41
• TPSA: 129.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate?

The IUPAC name of cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate (CID 170788402) is cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate.

What is the SMILES notation for cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate?

The canonical SMILES for cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate is [H]/N=C(\OC1CCC1)c1cc(N2CCC(N(C)C(=O)Nc3cc(C(F)(F)F)cn(C)c3=O)CC2)cnc1N.

What is the InChIKey of cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate?

The InChIKey is AHLQEWMSBWESIK-ANYBSYGZSA-N. The full InChI is InChI=1S/C24H30F3N7O3/c1-32-13-14(24(25,26)27)10-19(22(32)35)31-23(36)33(2)15-6-8-34(9-7-15)16-11-18(20(28)30-12-16)21(29)37-17-4-3-5-17/h10-13,15,17,29H,3-9H2,1-2H3,(H2,28,30)(H,31,36)/b29-21-.

What are the key properties of cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate?

cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate has a molecular weight of 521.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl 2-amino-5-[4-[methyl-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamoyl]amino]piperidin-1-yl]pyridine-3-carboximidate is sourced from PubChem (CID 170788402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).