5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid

C28H35F3N6O7S — CID 54759300

About 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid

5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid (PubChem CID 54759300) has the molecular formula C28H35F3N6O7S and a molecular weight of 656.68 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid.

Molecular Properties

• Compound Name: 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid
• PubChem CID: 54759300
• Molecular Formula: C28H35F3N6O7S
• Molecular Weight: 656.68 g/mol
• Exact Mass: 656.22
• IUPAC Name: 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid
• SMILES: CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1.CS(=O)(=O)O
• InChI: InChI=1S/C27H31F3N6O4.CH4O3S/c1-4-36-13-11-19(12-14-36)39-20-9-10-21(31-16-20)24(37)32-17-5-7-18(8-6-17)33-25(38)34-23-15-22(40-35-23)26(2,3)27(28,29)30;1-5(2,3)4/h5-10,15-16,19H,4,11-14H2,1-3H3,(H,32,37)(H2,33,34,35,38);1H3,(H,2,3,4)
• InChIKey: XVLUFCPVUUHIHO-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 175.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid?

The IUPAC name of 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid (CID 54759300) is 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid.

What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid?

The canonical SMILES for 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid is CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1.CS(=O)(=O)O.

What is the InChIKey of 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid?

The InChIKey is XVLUFCPVUUHIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O4.CH4O3S/c1-4-36-13-11-19(12-14-36)39-20-9-10-21(31-16-20)24(37)32-17-5-7-18(8-6-17)33-25(38)34-23-15-22(40-35-23)26(2,3)27(28,29)30;1-5(2,3)4/h5-10,15-16,19H,4,11-14H2,1-3H3,(H,32,37)(H2,33,34,35,38);1H3,(H,2,3,4).

What are the key properties of 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid?

5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid has a molecular weight of 656.68 g/mol, XLogP of 5.17, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 54759300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).