3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C25H24F3N5O2 — CID 66885412

IUPAC3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C25H24F3N5O2/c1-16-15-33(24(34)32-22-14-29-17(2)12-30-22)9-8-19(16)10-18-4-3-5-21(11-18)35-23-7-6-20(13-31-23)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,30,32,34)
InChIKeyLFDHGSZOBAMLIV-UHFFFAOYSA-N
MW483.49 g/mol
LogP5.95
Rot. Bonds4

About 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885412) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66885412
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C25H24F3N5O2/c1-16-15-33(24(34)32-22-14-29-17(2)12-30-22)9-8-19(16)10-18-4-3-5-21(11-18)35-23-7-6-20(13-31-23)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,30,32,34)
InChIKeyLFDHGSZOBAMLIV-UHFFFAOYSA-N
XLogP5.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66885412) is 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C(C)C2)cn1.
What is the InChIKey of 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is LFDHGSZOBAMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-16-15-33(24(34)32-22-14-29-17(2)12-30-22)9-8-19(16)10-18-4-3-5-21(11-18)35-23-7-6-20(13-31-23)25(26,27)28/h3-7,10-14,16H,8-9,15H2,1-2H3,(H,30,32,34).
What are the key properties of 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylpyrazin-2-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).