5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide

C27H30F3N5O4 — CID 70649476

IUPAC5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide
SMILESCN1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1
InChIInChI=1S/C27H30F3N5O4/c1-26(2,27(28,29)30)22-15-23(34-39-22)33-24(36)14-17-4-6-18(7-5-17)32-25(37)21-9-8-20(16-31-21)38-19-10-12-35(3)13-11-19/h4-9,15-16,19H,10-14H2,1-3H3,(H,32,37)(H,33,34,36)
InChIKeyXZDQXXJSQXMODH-UHFFFAOYSA-N
MW545.56 g/mol
LogP4.82
Rot. Bonds8

About 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide

5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 70649476) has the molecular formula C27H30F3N5O4 and a molecular weight of 545.56 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide
PubChem CID70649476
Molecular FormulaC27H30F3N5O4
Molecular Weight545.56 g/mol
Exact Mass545.22
IUPAC Name5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide
SMILESCN1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1
InChIInChI=1S/C27H30F3N5O4/c1-26(2,27(28,29)30)22-15-23(34-39-22)33-24(36)14-17-4-6-18(7-5-17)32-25(37)21-9-8-20(16-31-21)38-19-10-12-35(3)13-11-19/h4-9,15-16,19H,10-14H2,1-3H3,(H,32,37)(H,33,34,36)
InChIKeyXZDQXXJSQXMODH-UHFFFAOYSA-N
XLogP4.82
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide (CID 70649476) is 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide is CN1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide?
The InChIKey is XZDQXXJSQXMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O4/c1-26(2,27(28,29)30)22-15-23(34-39-22)33-24(36)14-17-4-6-18(7-5-17)32-25(37)21-9-8-20(16-31-21)38-19-10-12-35(3)13-11-19/h4-9,15-16,19H,10-14H2,1-3H3,(H,32,37)(H,33,34,36).
What are the key properties of 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide?
5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 545.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 70649476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).